Sign In Join Free

Products Information

Piperidine-2-ethylsulfonic acid amide
Piperidine-2-ethylsulfonic acid amide
ID: BP-11597
Supplier:BroadPharm

Get a quote


SMILES:S(=O)(=O)(CCC1NCCCC1)N	
FORMULA: C7H16N2O2S
MASS: 192.2791
EXACT MASS: 192.0932488
INTERATOMIC DISTANCES

              S   1      O   2      O   3      N   4      C   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    1.2500     0.0000 
   O   3    1.2500     1.7678     0.0000 
   N   4    3.7416     3.9462     4.9916     0.0000 
   C   5    1.2458     1.7648     2.4958     2.4958     0.0000 
   N   6    1.2451     2.4105     1.2492     4.4930     2.1562     0.0000 
   C   7    2.1598     1.8786     3.3021     2.1619     1.2471     3.2966 
   C   8    3.2982     3.1213     4.4980     1.2508     2.1598     4.3160 
   C   9    4.9916     5.1468     6.2416     1.2500     3.7458     5.7145 
   C  10    4.3216     3.8513     5.4399     2.1667     3.3023     5.4351 
   C  11    5.7193     5.6192     6.9509     2.1655     4.5021     6.6004 
   C  12    5.4399     5.0743     6.6056     2.5014     4.3252     6.4814 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2458     0.0000 
   C   9    3.3035     2.1655     0.0000 
   C  10    2.1618     1.2507     2.5014     0.0000 
   C  11    3.7458     2.5000     1.2508     2.1654     0.0000 
   C  12    3.3035     2.1654     2.1667     1.2500     1.2507     0.0000 




ATOMIC CHARGES
   S   1    0.0739939029
   O   2   -0.1548224179
   O   3   -0.1548224179
   N   4   -0.2194078184
   C   5    0.1735408026
   N   6    0.0345457353
   C   7    0.0444976291
   C   8    0.0745867491
   C   9    0.0886448515
   C  10    0.0174850188
   C  11    0.0188506183
   C  12    0.0029073467


BOND ANGLES
   2    1    3   O2  So2   O2     90.000
   2    1    5   O2  So2   C3     90.000
   2    1    6   O2  So2   N3    150.087
   3    1    5   O2  So2   C3    179.974
   3    1    6   O2  So2   N3     60.087
   5    1    6   C3  So2   N3    119.913
   8    4    9   C3   N3   C3    119.980
   1    5    7  So2   C3   C3    120.077
   5    7    8   C3   C3   C3    120.077
   4    8    7   N3   C3   C3    119.980
   4    8   10   N3   C3   C3    120.037
   7    8   10   C3   C3   C3    119.982
   4    9   11   N3   C3   C3    119.980
   8   10   12   C3   C3   C3    119.982
   9   11   12   C3   C3   C3    120.037
  10   12   11   C3   C3   C3    119.982


TORSION ANGLES
   9    4    8    7    179.974
   9    4    8   10      0.026
   7    5    1    2      0.026
   7    5    1    3    180.000
   7    5    1    6    179.974
   8    7    5    1    179.974
   4    8    7    5      0.026
  10    8    7    5    179.974
  11    9    4    8      0.026
  12   10    8    4      0.026
  12   10    8    7    179.974
   9   11   12   10      0.026
  11   12   10    8      0.026
  12   11    9    4      0.026


CHIRAL ATOMS
  12   11    9    4      0.026