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4-(Piperidin-3-ylmethanesulfonyl)-m
4-(Piperidin-3-ylmethanesulfonyl)-m
ID: BP-11655
Supplier:BroadPharm

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SMILES:S(=O)(=O)(N1CCOCC1)CC1CNCCC1	
FORMULA: C10H20N2O3S
MASS: 248.3424
EXACT MASS: 248.1194635
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.8040     0.0000 
   C   3    0.6010     1.4039     0.0000 
   O   4    0.6010     1.1546     0.7313     0.0000 
   O   5    0.6010     1.0875     0.7313     1.1608     0.0000 
   N   6    1.7991     2.2630     1.5868     2.2642     1.2281     0.0000 
   O   7    2.0044     1.2004     2.6039     2.2791     2.1934     3.2140 
   C   8    1.2193     0.5967     1.7951     1.3087     1.6424     2.8461 
   C   9    1.2210     0.6023     1.7674     1.7001     1.2142     2.1743 
   C  10    1.0401     1.7623     0.5994     1.3279     0.7480     1.0400 
   C  11    1.1997     1.7057     1.0400     1.6796     0.6376     0.5994 
   C  12    1.7810     1.0373     2.3720     1.9086     2.1240     3.2717 
   C  13    1.7825     1.0413     2.3514     2.1958     1.8137     2.7079 
   C  14    2.1629     2.7433     1.7991     2.5259     1.6619     0.6010 
   C  15    1.5877     2.3459     1.0390     1.7376     1.3448     1.1986 
   C  16    2.0790     2.7783     1.5873     2.3084     1.7071     1.0401 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.0379     0.0000 
   C   9    1.0398     1.0376     0.0000 
   C  10    2.9206     2.2516     1.9614     0.0000 
   C  11    2.7392     2.2750     1.7108     0.6033     0.0000 
   C  12    0.5970     0.6002     1.1981     2.7895     2.7335     0.0000 
   C  13    0.6014     1.1992     0.6002     2.5613     2.2857     1.0376 
   C  14    3.7646     3.3039     2.7277     1.1997     1.0401     3.7734 
   C  15    3.5153     2.8069     2.5589     0.5981     1.0400     3.3624 
   C  16    3.8972     3.2874     2.8901     1.0389     1.2021     3.8133 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    3.2809     0.0000 
   C  15    3.1585     1.0370     0.0000 
   C  16    3.4768     0.5994     0.5993     0.0000 



ATOMIC CHARGES
   S   1    0.0440024618
   N   2   -0.1542938780
   C   3    0.1704777249
   O   4   -0.1572852606
   O   5   -0.1572852606
   N   6   -0.2179945733
   O   7   -0.3506936891
   C   8    0.1274920624
   C   9    0.1274920624
   C  10    0.0427214373
   C  11    0.0904591273
   C  12    0.1612914211
   C  13    0.1612914211
   C  14    0.0886979094
   C  15    0.0047205922
   C  16    0.0189064417


BOND ANGLES
   2    1    3   N3  So2   C3    175.374
   2    1    4   N3  So2   O2    109.682
   2    1    5   N3  So2   O2    100.431
   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    8  So2   N3   C3    120.326
   1    2    9  So2   N3   C3    119.819
   8    2    9   C3   N3   C3    119.855
   1    3   10  So2   C3   C3    120.092
  11    6   14   C3   N3   C3    120.092
  12    7   13   C3   O3   C3    119.947
   2    8   12   N3   C3   C3    120.167
   2    9   13   N3   C3   C3    119.978
   3   10   11   C3   C3   C3    119.707
   3   10   15   C3   C3   C3    120.376
  11   10   15   C3   C3   C3    119.917
   6   11   10   N3   C3   C3    119.707
   7   12    8   O3   C3   C3    120.212
   7   13    9   O3   C3   C3    119.841
   6   14   16   N3   C3   C3    120.092
  10   15   16   C3   C3   C3    120.383
  14   16   15   C3   C3   C3    119.809


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


CHIRAL ATOMS
  16   14    6   11      0.026