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4-(phenylsulfonyl)piperidine
4-(phenylsulfonyl)piperidine
ID: BP-11661
Supplier:BroadPharm

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SMILES:S(=O)(=O)(C1CCNCC1)c1ccccc1	
FORMULA: C11H15NO2S
MASS: 225.3073
EXACT MASS: 225.0823497
INTERATOMIC DISTANCES

              S   1      C   2      O   3      O   4      C   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.6010     0.0000 
   O   3    0.6010     0.7313     0.0000 
   O   4    0.6010     0.7313     1.1608     0.0000 
   C   5    0.7256     1.3142     1.1554     0.9363     0.0000 
   N   6    1.7894     1.2021     1.6280     1.8372     2.5124     0.0000 
   C   7    1.1096     0.6000     1.3285     0.8831     1.7384     1.0417 
   C   8    0.9540     0.6010     0.6010     1.3072     1.6502     1.0399 
   C   9    1.6279     1.0398     1.6797     1.4828     2.3051     0.6011 
   C  10    1.5270     1.0417     1.1918     1.7693     2.2399     0.6000 
   C  11    1.1769     1.6738     1.7118     1.0539     0.6133     2.8584 
   C  12    1.1546     1.7487     1.3412     1.5160     0.6002     2.8979 
   C  13    1.7065     2.3074     1.9377     1.9640     1.0362     3.4781 
   C  14    1.7243     2.2516     2.2090     1.6404     1.0542     3.4426 
   C  15    1.9386     2.5229     2.3032     2.0250     1.2130     3.7237 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0398     0.0000 
   C   9    0.6010     1.2000     0.0000 
   C  10    1.2021     0.6011     1.0399     0.0000 
   C  11    1.9370     2.1294     2.5367     2.6871     0.0000 
   C  12    2.2523     1.9265     2.7823     2.5264     1.0312     0.0000 
   C  13    2.7711     2.5208     3.3263     3.1213     1.1708     0.5966 
   C  14    2.5229     2.6765     3.1231     3.2490     0.5876     1.1985 
   C  15    2.8948     2.8459     3.4827     3.4426     1.0248     1.0375 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.0212     0.0000 
   C  15    0.5856     0.6000     0.0000 



ATOMIC CHARGES
   S   1    0.0070805755
   C   2    0.1366842315
   O   3   -0.1686779022
   O   4   -0.1686779022
   C   5    0.1055991525
   N   6   -0.2179383013
   C   7    0.0428058125
   C   8    0.0428058125
   C   9    0.0904609354
   C  10    0.0904609354
   C  11    0.0183412125
   C  12    0.0183412125
   C  13    0.0013172114
   C  14    0.0013172114
   C  15    0.0000798023


BOND ANGLES
   2    1    3   C3  So2   O2     74.944
   2    1    4   C3  So2   O2     74.944
   2    1    5   C3  So2  Car    164.218
   3    1    4   O2  So2   O2    149.887
   3    1    5   O2  So2  Car    120.839
   4    1    5   O2  So2  Car     89.274
   1    2    7  So2   C3   C3    135.000
   1    2    8  So2   C3   C3    105.056
   7    2    8   C3   C3   C3    119.944
   1    5   11  So2  Car  Car    122.826
   1    5   12  So2  Car  Car    120.812
  11    5   12  Car  Car  Car    116.362
   9    6   10   C3   N3   C3    119.939
   2    7    9   C3   C3   C3    119.944
   2    8   10   C3   C3   C3    120.118
   6    9    7   N3   C3   C3    120.118
   6   10    8   N3   C3   C3    119.939
   5   11   14  Car  Car  Car    122.752
   5   12   13  Car  Car  Car    119.946
  12   13   15  Car  Car  Car    122.715
  11   14   15  Car  Car  Car    119.291
  13   15   14  Car  Car  Car    118.933


TORSION ANGLES
   7    2    1    3    179.974
   7    2    1    4      0.026
   7    2    1    5      0.026
   8    2    1    3      0.026
   8    2    1    4    179.974
   8    2    1    5    179.974
  11    5    1    2      0.026
  11    5    1    3    179.974
  11    5    1    4      0.026
  12    5    1    2    179.974
  12    5    1    3      0.026
  12    5    1    4    179.974
   9    6   10    8      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
  14   11    5    1    179.974
  14   11    5   12      0.026
  13   12    5    1    179.974
  13   12    5   11      0.026
  15   13   12    5      0.026
  15   14   11    5      0.026
  13   15   14   11      0.026
  10    6    9    7      0.026
  14   15   13   12      0.026