Sign In Join Free

Products Information

4-(methylsulfonyl)piperidine
4-(methylsulfonyl)piperidine
ID: BP-11900
CAS:290328-55-1
Supplier:BroadPharm

Get a quote


SMILES:S(=O)(=O)(C1CCNCC1)C	
FORMULA: C6H13NO2S
MASS: 163.2379
EXACT MASS: 163.0666997
INTERATOMIC DISTANCES

              S   1      C   2      O   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.5994     0.0000 
   O   3    0.6010     1.1901     0.0000 
   O   4    0.6010     0.7305     0.8500     0.0000 
   N   5    1.7980     1.1986     2.3836     1.7416     0.0000 
   C   6    0.6010     1.1096     0.6000     1.1608     2.2641     0.0000 
   C   7    1.0371     0.5993     1.6250     1.3269     1.0400     1.3269 
   C   8    1.0401     0.6010     1.5253     0.7473     1.0370     1.6283 
   C   9    1.5877     1.0401     2.1122     1.3455     0.5993     2.1451 
   C  10    1.5844     1.0370     2.1843     1.7345     0.6010     1.9251 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    1.0400     0.0000 
   C   9    1.2021     0.5993     0.0000 
   C  10    0.5993     1.1986     1.0401     0.0000 



ATOMIC CHARGES
   S   1   -0.0097977877
   C   2    0.1320580436
   O   3   -0.1729762226
   O   4   -0.1729762226
   N   5   -0.2179386809
   C   6    0.1759758902
   C   7    0.0423808400
   C   8    0.0423808400
   C   9    0.0904466499
   C  10    0.0904466499


BOND ANGLES
   2    1    3   C3  So2   O2    164.964
   2    1    4   C3  So2   O2     74.964
   2    1    6   C3  So2   C3    135.148
   3    1    4   O2  So2   O2     90.000
   3    1    6   O2  So2   C3     59.887
   4    1    6   O2  So2   C3    149.887
   1    2    7  So2   C3   C3    119.818
   1    2    8  So2   C3   C3    120.092
   7    2    8   C3   C3   C3    120.090
   9    5   10   C3   N3   C3    120.101
   2    7   10   C3   C3   C3    119.821
   2    8    9   C3   C3   C3    120.101
   5    9    8   N3   C3   C3    119.798
   5   10    7   N3   C3   C3    120.090


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