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4-((cyclopropylmethylsulfonyl)methyl)piperidine
4-((cyclopropylmethylsulfonyl)methyl)piperidine
ID: BP-11903
Supplier:BroadPharm

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SMILES:C1(CCNCC1)CS(=O)(=O)CC1CC1	
FORMULA: C10H19NO2S
MASS: 217.3284
EXACT MASS: 217.1136499
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    1.0393     0.6001     0.0000 
   N   4    1.2001     1.0393     0.6000     0.0000 
   C   5    1.0393     1.2001     1.0392     0.6000     0.0000 
   C   6    0.6001     1.0393     1.2000     1.0392     0.6000     0.0000 
   C   7    0.6000     1.0392     1.5875     1.8000     1.5875     1.0393 
   C   8    1.9390     2.0712     2.6655     3.0642     2.9765     2.4586 
   C   9    2.4585     2.4928     3.0642     3.5205     3.4963     3.0082 
   C  10    3.0575     3.0852     3.6493     4.1165     4.0958     3.6024 
   C  11    2.8356     2.7545     3.2806     3.7935     3.8528     3.4161 
   S  12    1.3289     1.4040     1.9972     2.4084     2.3654     1.8916 
   O  13    1.7384     1.9434     2.5434     2.8991     2.7659     2.2268 
   O  14    0.9944     1.3205     1.9070     2.1850     2.0048     1.4583 

              C   7      C   8      C   9      C  10      C  11      S  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4230     0.0000 
   C   9    1.9874     0.6000     0.0000 
   C  10    2.5749     1.1591     0.6000     0.0000 
   C  11    2.4385     1.1591     0.6000     0.6000     0.0000 
   S  12    0.9104     0.6684     1.1312     1.7310     1.5325     0.0000 
   O  13    1.1877     0.2943     0.8916     1.4320     1.4524     0.5979 
   O  14    0.4197     1.0130     1.5916     2.1706     2.0758     0.5979 

              O  13      O  14
              ----------------------
   O  13    0.0000 
   O  14    0.7686     0.0000 



ATOMIC CHARGES
   C   1    0.0264803557
   C   2    0.0205967176
   C   3    0.0887508342
   N   4   -0.2180494431
   C   5    0.0887508342
   C   6    0.0205967176
   C   7    0.1508621917
   C   8    0.1507688665
   C   9    0.0236206272
   C  10    0.0017999913
   C  11    0.0017999913
   S  12   -0.0100195876
   O  13   -0.1729790483
   O  14   -0.1729790483


BOND ANGLES
   2    1    6   C3   C3   C3    119.996
   2    1    7   C3   C3   C3    120.001
   6    1    7   C3   C3   C3    120.003
   1    2    3   C3   C3   C3    119.996
   2    3    4   C3   C3   N3    120.003
   3    4    5   C3   N3   C3    120.001
   4    5    6   N3   C3   C3    120.001
   1    6    5   C3   C3   C3    120.003
   1    7   12   C3   C3  So2    121.892
   9    8   12   C3   C3  So2    126.119
   8    9   10   C3   C3   C3    149.999
   8    9   11   C3   C3   C3    150.001
  10    9   11   C3   C3   C3     59.999
   9   10   11   C3   C3   C3     59.999
   9   11   10   C3   C3   C3     60.001
   7   12    8   C3  So2   C3    128.012
   8   12   13   C3  So2   O2     26.126
   8   12   14   C3  So2   O2    106.113
   7   12   13   C3  So2   O2    101.886
   7   12   14   C3  So2   O2     21.899
  13   12   14   O2  So2   O2     79.987


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