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4-((methylsulfonyl)methyl)piperidine
4-((methylsulfonyl)methyl)piperidine
ID: BP-11904
Supplier:BroadPharm

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SMILES:C1(CCNCC1)CS(=O)(=O)C	
FORMULA: C7H15NO2S
MASS: 177.2645
EXACT MASS: 177.0823497
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   N   4    1.2001     1.0393     0.6001     0.0000 
   C   5    1.0393     1.2001     1.0393     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0393     0.6001     0.0000 
   C   7    0.6000     1.0392     1.5874     1.8000     1.5875     1.0392 
   C   8    1.9715     2.1752     2.7748     3.1341     2.9963     2.4514 
   S   9    1.1298     1.1882     1.7825     2.1927     2.1616     1.7049 
   O  10    1.5228     1.7331     2.3331     2.6830     2.5522     2.0183 
   O  11    0.7785     1.1362     1.7122     1.9718     1.7898     1.2498 

              C   7      C   8      S   9      O  10      O  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.4138     0.0000 
   S   9    0.7688     1.0073     0.0000 
   O  10    0.9793     0.4513     0.5979     0.0000 
   O  11    0.2123     1.2071     0.5979     0.7686     0.0000 



ATOMIC CHARGES
   C   1    0.0264812316
   C   2    0.0205967211
   C   3    0.0887508342
   N   4   -0.2180494431
   C   5    0.0887508342
   C   6    0.0205967211
   C   7    0.1509280832
   C   8    0.1760390893
   S   9   -0.0082417628
   O  10   -0.1729261544
   O  11   -0.1729261544


BOND ANGLES
   2    1    7   C3   C3   C3    120.001
   6    1    7   C3   C3   C3    119.999
   2    1    6   C3   C3   C3    120.001
   1    2    3   C3   C3   C3    120.001
   2    3    4   C3   C3   N3    120.003
   3    4    5   C3   N3   C3    119.996
   4    5    6   N3   C3   C3    119.996
   1    6    5   C3   C3   C3    120.003
   1    7    9   C3   C3  So2    110.663
   7    9    8   C3  So2   C3    104.711
   7    9   10   C3  So2   O2     90.663
   7    9   11   C3  So2   O2     10.664
   8    9   10   C3  So2   O2     14.048
   8    9   11   C3  So2   O2     94.047
  10    9   11   O2  So2   O2     79.999


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