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4-(Piperidine-4-sulfonyl)-morpholin
4-(Piperidine-4-sulfonyl)-morpholin
ID: BP-11652
Supplier:BroadPharm

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SMILES:S(=O)(=O)(N1CCOCC1)C1CCNCC1	
FORMULA: C9H18N2O3S
MASS: 234.3158
EXACT MASS: 234.1038134
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.7513     0.0000 
   C   3    0.6010     1.3259     0.0000 
   O   4    0.6010     1.2167     0.7313     0.0000 
   O   5    0.6011     0.8963     0.7313     1.1609     0.0000 
   N   6    1.7859     2.5239     1.1985     1.6256     1.8332     0.0000 
   O   7    1.9169     1.2000     2.4265     2.4167     1.7870     3.6041 
   C   8    1.2773     0.5975     1.8760     1.5969     1.4930     3.0617 
   C   9    1.0237     0.6010     1.4331     1.6090     0.7513     2.5814 
   C  10    0.9500     1.6876     0.5975     0.5981     1.3033     1.0398 
   C  11    1.1096     1.7227     0.6000     1.3285     0.8830     1.0375 
   C  12    1.5230     2.2716     1.0375     1.1885     1.7651     0.6000 
   C  13    1.6256     2.2952     1.0378     1.6786     1.4793     0.6010 
   C  14    1.7851     1.0378     2.3631     2.1749     1.8504     3.5614 
   C  15    1.6134     1.0398     2.0295     2.1838     1.3264     3.1581 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.0378     0.0000 
   C   9    1.0398     1.0375     0.0000 
   C  10    2.8667     2.1470     1.9408     0.0000 
   C  11    2.6642     2.3129     1.6244     1.0378     0.0000 
   C  12    3.4322     2.7466     2.4654     0.6010     1.1985     0.0000 
   C  13    3.2616     2.8757     2.2218     1.2000     0.5975     1.0398 
   C  14    0.5975     0.6000     1.1985     2.7008     2.7229     3.2945 
   C  15    0.6010     1.1985     0.6000     2.5400     2.1688     3.0640 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    3.3098     0.0000 
   C  15    2.7607     1.0375     0.0000 



ATOMIC CHARGES
   S   1    0.0423239743
   N   2   -0.1543455548
   C   3    0.1487001340
   O   4   -0.1573376466
   O   5   -0.1573376466
   N   6   -0.2179371441
   O   7   -0.3506936891
   C   8    0.1274913079
   C   9    0.1274913079
   C  10    0.0440273541
   C  11    0.0440273541
   C  12    0.0905037067
   C  13    0.0905037067
   C  14    0.1612914179
   C  15    0.1612914179


BOND ANGLES
   2    1    3   N3  So2   C3    157.154
   2    1    4   N3  So2   O2    127.902
   2    1    5   N3  So2   O2     82.215
   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    8  So2   N3   C3    142.294
   1    2    9  So2   N3   C3     97.789
   8    2    9   C3   N3   C3    119.917
   1    3   10  So2   C3   C3    104.860
   1    3   11  So2   C3   C3    135.000
  10    3   11   C3   C3   C3    120.140
  12    6   13   C3   N3   C3    119.944
  14    7   15   C3   O3   C3    119.917
   2    8   14   N3   C3   C3    120.140
   2    9   15   N3   C3   C3    119.944
   3   10   12   C3   C3   C3    119.917
   3   11   13   C3   C3   C3    120.140
   6   12   10   N3   C3   C3    119.944
   6   13   11   N3   C3   C3    119.917
   7   14    8   O3   C3   C3    120.140
   7   15    9   O3   C3   C3    119.944


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