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N,N-DIMETHYL-2-(PIPERIDIN-2-YL)ETHANESULFONYLAMIDE
N,N-DIMETHYL-2-(PIPERIDIN-2-YL)ETHANESULFONYLAMIDE
ID: BP-11653
Supplier:BroadPharm

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SMILES:S(=O)(=O)(N(C)C)CCC1NCCCC1	
FORMULA: C9H20N2O2S
MASS: 220.3323
EXACT MASS: 220.1245489
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.7426     0.0000 
   C   3    0.6010     1.3396     0.0000 
   O   4    0.6010     1.1292     0.7313     0.0000 
   O   5    0.6010     1.0042     0.7313     1.1608     0.0000 
   N   6    2.1090     2.8163     1.5253     2.1588     1.9153     0.0000 
   C   7    1.1096     1.7859     0.6000     1.3285     0.8831     1.0400 
   C   8    1.5488     2.2775     0.9509     1.5562     1.4610     0.6033 
   C   9    2.5870     3.3176     1.9869     2.5287     2.4698     0.5994 
   C  10    1.3117     0.5975     1.9125     1.5642     1.5924     3.4084 
   C  11    1.0251     0.6010     1.5146     1.5723     0.9000     2.8138 
   C  12    1.6179     2.3553     1.0581     1.3947     1.7454     1.0401 
   C  13    2.6271     3.3695     2.0388     2.4301     2.6470     1.0401 
   C  14    2.2059     2.9370     1.6567     1.9191     2.3413     1.2021 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5994     0.0000 
   C   9    1.5868     1.0400     0.0000 
   C  10    2.3818     2.8596     3.8985     0.0000 
   C  11    1.7829     2.3533     3.3695     0.9500     0.0000 
   C  12    1.0390     0.5981     1.1987     2.8910     2.5724     0.0000 
   C  13    1.7991     1.1997     0.6010     3.9194     3.5246     1.0371 
   C  14    1.5873     1.0389     1.0401     3.4558     3.1712     0.5993 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    0.5994     0.0000 



ATOMIC CHARGES
   S   1    0.0439388635
   N   2   -0.1564730281
   C   3    0.1705298199
   O   4   -0.1572860543
   O   5   -0.1572860543
   N   6   -0.2194078242
   C   7    0.0443917407
   C   8    0.0745853771
   C   9    0.0886448515
   C  10    0.1145596651
   C  11    0.1145596651
   C  12    0.0174850130
   C  13    0.0188506183
   C  14    0.0029073467


BOND ANGLES
   2    1    3   N3  So2   C3    171.098
   2    1    4   N3  So2   O2    113.958
   2    1    5   N3  So2   O2     96.155
   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   10  So2   N3   C3    156.238
   1    2   11  So2   N3   C3     98.902
  10    2   11   C3   N3   C3    104.860
   1    3    7  So2   C3   C3    135.000
   8    6    9   C3   N3   C3    119.707
   3    7    8   C3   C3   C3    104.908
   6    8    7   N3   C3   C3    119.707
   6    8   12   N3   C3   C3    119.924
   7    8   12   C3   C3   C3    120.370
   6    9   13   N3   C3   C3    120.092
   8   12   14   C3   C3   C3    120.367
   9   13   14   C3   C3   C3    120.092
  12   14   13   C3   C3   C3    119.818


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


CHIRAL ATOMS
  14   13    9    6      0.026