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4-(2-methoxyethylsulfonyl)piperidine
4-(2-methoxyethylsulfonyl)piperidine
ID: BP-11658
Supplier:BroadPharm

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SMILES:S(=O)(=O)(CCOC)C1CCNCC1	
FORMULA: C8H17NO3S
MASS: 207.2905
EXACT MASS: 207.0929144
INTERATOMIC DISTANCES

              S   1      C   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    0.7236     0.0000 
   C   3    0.6010     1.3117     0.0000 
   O   4    0.6010     1.1552     0.7313     0.0000 
   O   5    0.6011     0.9325     0.7313     1.1609     0.0000 
   N   6    1.7894     2.5101     1.2021     1.6280     1.8372     0.0000 
   C   7    1.1096     1.7351     0.6000     1.3285     0.8830     1.0417 
   C   8    0.9540     1.6490     0.6010     0.6010     1.3072     1.0399 
   C   9    1.6279     2.3020     1.0398     1.6797     1.4828     0.6011 
   C  10    1.5270     2.2384     1.0417     1.1918     1.7693     0.6000 
   C  11    1.2179     0.5993     1.8176     1.4517     1.5298     2.9833 
   O  12    1.6698     0.9509     2.2625     2.0093     1.8125     3.4590 
   C  13    2.2249     1.5236     2.8246     2.4898     2.4103     4.0093 

              C   7      C   8      C   9      C  10      C  11      O  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    2.2997     2.0287     2.8435     2.6296     0.0000 
   O  12    2.6653     2.5604     3.2443     3.1591     0.6000     0.0000 
   C  13    3.2540     3.0684     3.8256     3.6694     1.0399     0.6011 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   S   1   -0.0090423258
   C   2    0.1826633796
   C   3    0.1320909616
   O   4   -0.1729494018
   O   5   -0.1729494018
   N   6   -0.2179386809
   C   7    0.0423813133
   C   8    0.0423813133
   C   9    0.0904466519
   C  10    0.0904466519
   C  11    0.1675254718
   O  12   -0.3492320375
   C  13    0.1741761044


BOND ANGLES
   2    1    3   C3  So2   C3    163.928
   2    1    4   C3  So2   O2    121.129
   2    1    5   C3  So2   O2     88.989
   3    1    4   C3  So2   O2     74.944
   3    1    5   C3  So2   O2     74.939
   4    1    5   O2  So2   O2    149.882
   1    2   11  So2   C3   C3    133.838
   1    3    7  So2   C3   C3    135.000
   1    3    8  So2   C3   C3    105.056
   7    3    8   C3   C3   C3    119.944
   9    6   10   C3   N3   C3    119.939
   3    7    9   C3   C3   C3    119.944
   3    8   10   C3   C3   C3    120.118
   6    9    7   N3   C3   C3    120.118
   6   10    8   N3   C3   C3    119.939
   2   11   12   C3   C3   O3    104.910
  11   12   13   C3   O3   C3    119.939


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