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Piperidine-4-sulfonic acid amide
Piperidine-4-sulfonic acid amide
ID: BP-11598
Supplier:BroadPharm

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SMILES:S(=O)(=O)(C1CCNCC1)N	
FORMULA: C5H12N2O2S
MASS: 164.2260
EXACT MASS: 164.0619486
INTERATOMIC DISTANCES

              S   1      C   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.8250     0.0000 
   O   3    0.8219     0.9959     0.0000 
   O   4    0.8197     1.6306     1.1665     0.0000 
   N   5    0.8233     1.4280     1.6321     0.9997     0.0000 
   N   6    2.4750     1.6500     2.3892     3.2736     2.9741     0.0000 
   C   7    1.4243     0.8212     1.0156     2.0858     2.1770     1.4316 
   C   8    1.4222     0.8176     1.8097     2.2245     1.6458     1.4295 
   C   9    2.1781     1.4243     1.8392     2.8935     2.8523     0.8254 
   C  10    2.1768     1.4222     2.3720     2.9951     2.4708     0.8218 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.4208     0.0000 
   C   9    0.8250     1.6430     0.0000 
   C  10    1.6430     0.8250     1.4208     0.0000 



ATOMIC CHARGES
   S   1    0.0723138109
   C   2    0.1516090887
   O   3   -0.1548751236
   O   4   -0.1548751236
   N   5    0.0344922546
   N   6   -0.2179371326
   C   7    0.0441310443
   C   8    0.0441310443
   C   9    0.0905050686
   C  10    0.0905050686


BOND ANGLES
   2    1    3   C3  So2   O2     74.417
   2    1    4   C3  So2   O2    164.975
   2    1    5   C3  So2   N3    120.069
   3    1    4   O2  So2   O2     90.559
   3    1    5   O2  So2   N3    165.515
   4    1    5   O2  So2   N3     74.956
   1    2    7  So2   C3   C3    119.815
   1    2    8  So2   C3   C3    119.961
   7    2    8   C3   C3   C3    120.224
   9    6   10   C3   N3   C3    119.210
   2    7    9   C3   C3   C3    119.815
   2    8   10   C3   C3   C3    119.961
   6    9    7   N3   C3   C3    120.321
   6   10    8   N3   C3   C3    120.469


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