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Piperidin-3-yl-methanesulfonamide
Piperidin-3-yl-methanesulfonamide 
ID: BP-11649
Supplier:BroadPharm

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SMILES:S(=O)(=O)(CC1CNCCC1)N	
FORMULA: C6H14N2O2S
MASS: 178.2526
EXACT MASS: 178.0775987
INTERATOMIC DISTANCES

              S   1      O   2      O   3      C   4      N   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    0.6010     0.0000 
   O   3    0.6010     1.1608     0.0000 
   C   4    0.6010     0.7313     0.7313     0.0000 
   N   5    0.8136     1.2057     1.0446     1.4082     0.0000 
   N   6    1.8020     2.2661     1.2316     1.5878     2.2061     0.0000 
   C   7    1.0400     1.3278     0.7479     0.5993     1.7382     1.0400 
   C   8    1.2027     1.6812     0.6418     1.0400     1.6578     0.5993 
   C   9    2.1629     2.5259     1.6619     1.7991     2.6922     0.5952 
   C  10    1.5895     1.7379     1.3478     1.0400     2.3294     1.1997 
   C  11    2.0801     2.3084     1.7091     1.5876     2.7467     1.0390 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.6004     0.0000 
   C   9    1.1998     1.0349     0.0000 
   C  10    0.6010     1.0389     1.0401     0.0000 
   C  11    1.0401     1.1991     0.6034     0.5993     0.0000 



ATOMIC CHARGES
   S   1    0.0739931980
   O   2   -0.1548224206
   O   3   -0.1548224206
   C   4    0.1734877026
   N   5    0.0345457326
   N   6   -0.2179945675
   C   7    0.0428259563
   C   8    0.0904604986
   C   9    0.0886979094
   C  10    0.0047219638
   C  11    0.0189064473


BOND ANGLES
   2    1    3   O2  So2   O2    149.887
   2    1    4   O2  So2   C3     74.944
   2    1    5   O2  So2   N3    116.120
   3    1    4   O2  So2   C3     74.944
   3    1    5   O2  So2   N3     93.993
   4    1    5   C3  So2   N3    168.936
   1    4    7  So2   C3   C3    120.090
   8    6    9   C3   N3   C3    120.096
   4    7    8   C3   C3   C3    120.208
   4    7   10   C3   C3   C3    120.090
   8    7   10   C3   C3   C3    119.702
   6    8    7   N3   C3   C3    120.208
   6    9   11   N3   C3   C3    120.188
   7   10   11   C3   C3   C3    120.101
   9   11   10   C3   C3   C3    119.704


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


CHIRAL ATOMS
  11    9    6    8      0.026