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4-(2-Piperidin-2-yl-ethanesulfonyl)
4-(2-Piperidin-2-yl-ethanesulfonyl)
ID: BP-11656
Supplier:BroadPharm

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SMILES:S(=O)(=O)(N1CCOCC1)CCC1NCCCC1	
FORMULA: C11H22N2O3S
MASS: 262.3690
EXACT MASS: 262.1351136
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.8013     0.0000 
   C   3    0.6010     1.4011     0.0000 
   O   4    0.6010     1.1538     0.7313     0.0000 
   O   5    0.6010     1.0835     0.7313     1.1608     0.0000 
   N   6    2.0821     2.8161     1.5462     2.2445     1.7768     0.0000 
   C   7    1.1096     1.8583     0.6000     1.3285     0.8831     0.9725 
   O   8    2.0017     1.2004     2.6011     2.2773     2.1900     3.9650 
   C   9    1.2199     0.6024     1.7656     1.7000     1.2114     2.9793 
   C  10    1.2194     0.6008     1.7951     1.3087     1.6425     3.3007 
   C  11    1.6436     2.4263     1.0575     1.7018     1.4896     0.5993 
   C  12    1.7808     1.0413     2.3494     2.1951     1.8109     3.5739 
   C  13    1.7811     1.0413     2.3721     1.9086     2.1240     3.8462 
   C  14    2.6424     3.3961     2.0783     2.7377     2.3709     0.5981 
   C  15    1.9320     2.7330     1.3373     1.7958     1.9404     1.0430 
   C  16    2.8314     3.6218     2.2343     2.7988     2.6764     1.0390 
   C  17    2.5265     3.3278     1.9287     2.3858     2.4951     1.1997 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    3.0308     0.0000 
   C   9    2.0886     1.0399     0.0000 
   C  10    2.3287     1.0371     1.0409     0.0000 
   C  11    0.6069     3.6143     2.6915     2.8521     0.0000 
   C  12    2.6888     0.6015     0.6002     1.2007     3.2914     0.0000 
   C  13    2.8795     0.5984     1.2023     0.6002     3.4242     1.0409 
   C  14    1.5392     4.5559     3.5762     3.8610     1.0360     4.1715 
   C  15    1.1084     3.9331     3.0907     3.0672     0.6044     3.6814 
   C  16    1.7964     4.8128     3.8850     4.0235     1.1991     4.4851 
   C  17    1.6279     4.5282     3.6689     3.6644     1.0389     4.2634 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    4.4183     0.0000 
   C  15    3.6620     1.1998     0.0000 
   C  16    4.6059     0.5994     1.0390     0.0000 
   C  17    4.2598     1.0371     0.5981     0.5993     0.0000 



ATOMIC CHARGES
   S   1    0.0440031660
   N   2   -0.1542938753
   C   3    0.1705308199
   O   4   -0.1572852579
   O   5   -0.1572852579
   N   6   -0.2194078242
   C   7    0.0443917450
   O   8   -0.3506936891
   C   9    0.1274920624
   C  10    0.1274920624
   C  11    0.0745853771
   C  12    0.1612914211
   C  13    0.1612914211
   C  14    0.0886448515
   C  15    0.0174850130
   C  16    0.0188506183
   C  17    0.0029073467


BOND ANGLES
   2    1    3   N3  So2   C3    175.151
   2    1    4   N3  So2   O2    109.906
   2    1    5   N3  So2   O2    100.207
   3    1    4   C3  So2   O2     74.944
   3    1    5   C3  So2   O2     74.944
   4    1    5   O2  So2   O2    149.887
   1    2    9  So2   N3   C3    120.034
   1    2   10  So2   N3   C3    120.173
   9    2   10   C3   N3   C3    119.794
   1    3    7  So2   C3   C3    135.000
  11    6   14   C3   N3   C3    119.812
   3    7   11   C3   C3   C3    122.381
  12    8   13   C3   O3   C3    120.324
   2    9   12   N3   C3   C3    119.969
   2   10   13   N3   C3   C3    120.237
   6   11    7   N3   C3   C3    107.470
   6   11   15   N3   C3   C3    120.103
   7   11   15   C3   C3   C3    132.427
   8   12    9   O3   C3   C3    119.843
   8   13   10   O3   C3   C3    119.833
   6   14   16   N3   C3   C3    120.370
  11   15   17   C3   C3   C3    119.523
  14   16   17   C3   C3   C3    119.807
  15   17   16   C3   C3   C3    120.386


TORSION ANGLES
   9    2    1    3      0.026
   9    2    1    4    179.974
   9    2    1    5      0.026
  10    2    1    3    179.974
  10    2    1    4      0.026
  10    2    1    5    179.974
   7    3    1    2      0.026
   7    3    1    4    179.974
   7    3    1    5      0.026
  14    6   11    7    179.974
  14    6   11   15      0.026
  11    7    3    1    179.974
  13    8   12    9      0.026
  12    9    2    1    179.974
  12    9    2   10      0.026
  13   10    2    1    179.974
  13   10    2    9      0.026
   6   11    7    3    179.974
  15   11    7    3      0.026
   8   12    9    2      0.026
   8   13   10    2      0.026
  16   14    6   11      0.026
  17   15   11    6      0.026
  17   15   11    7    179.974
  17   16   14    6      0.026
  16   17   15   11      0.026
  12    8   13   10      0.026
  15   17   16   14      0.026


CHIRAL ATOMS
  15   17   16   14      0.026