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4-(Pyrrolidine-3-sulfonyl)-morpholi
4-(Pyrrolidine-3-sulfonyl)-morpholi
ID: BP-11657
Supplier:BroadPharm

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SMILES:S(=O)(=O)(N1CCOCC1)C1CCNC1	
FORMULA: C8H16N2O3S
MASS: 220.2892
EXACT MASS: 220.0881634
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.8013     0.0000 
   C   3    0.6010     1.4011     0.0000 
   O   4    0.6011     1.1539     0.7313     0.0000 
   O   5    0.6010     1.0835     0.7313     1.1609     0.0000 
   N   6    1.5554     2.3362     0.9727     1.6287     1.3983     0.0000 
   O   7    2.0017     1.2003     2.6011     2.2773     2.1899     3.5233 
   C   8    1.2198     0.6023     1.7655     1.7000     1.2113     2.5997 
   C   9    1.2194     0.6008     1.7951     1.3087     1.6425     2.7660 
   C  10    1.0699     1.8376     0.5988     0.8043     1.3300     0.9700 
   C  11    1.0686     1.7994     0.5993     1.3305     0.8011     0.6038 
   C  12    1.5520     2.3502     0.9690     1.3959     1.6247     0.5981 
   C  13    1.7810     1.0413     2.3720     1.9086     2.1240     3.3363 
   C  14    1.7808     1.0413     2.3494     2.1952     1.8109     3.1996 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.0399     0.0000 
   C   9    1.0371     1.0409     0.0000 
   C  10    3.0202     2.2888     2.0986     0.0000 
   C  11    2.9634     2.0103     2.2841     0.9693     0.0000 
   C  12    3.5484     2.7339     2.6694     0.5981     0.9700     0.0000 
   C  13    0.5984     1.2023     0.6002     2.6980     2.8270     3.2653 
   C  14    0.6015     0.6002     1.2008     2.8482     2.6105     3.3181 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.0409     0.0000 



ATOMIC CHARGES
   S   1    0.0436870415
   N   2   -0.1543014055
   C   3    0.1645284109
   O   4   -0.1572928657
   O   5   -0.1572928657
   N   6   -0.2161413588
   O   7   -0.3506936891
   C   8    0.1274919673
   C   9    0.1274919673
   C  10    0.0454838071
   C  11    0.1138412527
   C  12    0.0906148965
   C  13    0.1612914207
   C  14    0.1612914207


BOND ANGLES
   2    1    3   N3  So2   C3    175.151
   2    1    4   N3  So2   O2    109.911
   2    1    5   N3  So2   O2    100.207
   3    1    4   C3  So2   O2     74.939
   3    1    5   C3  So2   O2     74.944
   4    1    5   O2  So2   O2    149.882
   1    2    8  So2   N3   C3    120.030
   1    2    9  So2   N3   C3    120.163
   8    2    9   C3   N3   C3    119.806
   1    3   10  So2   C3   C3    126.191
   1    3   11  So2   C3   C3    125.802
  10    3   11   C3   C3   C3    108.008
  11    6   12   C3   N3   C3    107.620
  13    7   14   C3   O3   C3    120.334
   2    8   14   N3   C3   C3    119.972
   2    9   13   N3   C3   C3    120.228
   3   10   12   C3   C3   C3    108.111
   3   11    6   C3   C3   N3    107.897
   6   12   10   N3   C3   C3    108.364
   7   13    9   O3   C3   C3    119.833
   7   14    8   O3   C3   C3    119.827


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


CHIRAL ATOMS
  14    7   13    9      0.026