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Piperidine-4-methylsulfonic acid amide
Piperidine-4-methylsulfonic acid amide
ID: BP-11596
Supplier:BroadPharm

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SMILES:S(=O)(=O)(CC1CCNCC1)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    1.2507     0.0000 
   O   3    1.2508     2.5014     0.0000 
   C   4    1.2508     1.7688     1.7688     0.0000 
   N   5    1.2507     1.7687     1.7687     2.5014     0.0000 
   N   6    4.5060     5.4762     3.7079     3.7484     5.4485     0.0000 
   C   7    2.1667     2.9945     1.8843     1.2507     3.3096     2.4978 
   C   8    4.3292     5.0713     3.8594     3.3054     5.4485     1.2500 
   C   9    3.7485     4.8719     2.7378     3.3055     4.5060     1.2507 
   C  10    2.5014     3.6384     1.5507     2.1654     3.3096     2.1625 
   C  11    3.3055     3.8979     3.1285     2.1625     4.5060     2.1654 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.1625     0.0000 
   C   9    2.1634     2.1654     0.0000 
   C  10    1.2500     2.4978     1.2471     0.0000 
   C  11    1.2471     1.2507     2.5000     2.1634     0.0000 



ATOMIC CHARGES
   S   1    0.0739460455
   O   2   -0.1548230116
   O   3   -0.1548230116
   C   4    0.1721459649
   N   5    0.0345451341
   N   6   -0.2180494368
   C   7    0.0282447785
   C   8    0.0887515869
   C   9    0.0887515869
   C  10    0.0206551816
   C  11    0.0206551816


BOND ANGLES
   2    1    3   O2  So2   O2    179.974
   2    1    4   O2  So2   C3     90.002
   2    1    5   O2  So2   N3     90.000
   3    1    4   O2  So2   C3     90.000
   3    1    5   O2  So2   N3     89.998
   4    1    5   C3  So2   N3    179.974
   1    4    7  So2   C3   C3    120.037
   8    6    9   C3   N3   C3    119.982
   4    7   10   C3   C3   C3    119.982
   4    7   11   C3   C3   C3    119.941
  10    7   11   C3   C3   C3    120.077
   6    8   11   N3   C3   C3    119.982
   6    9   10   N3   C3   C3    119.941
   7   10    9   C3   C3   C3    120.077
   7   11    8   C3   C3   C3    119.941


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