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N,N-Dimethyl-C-piperidin-3-yl-metha
N,N-Dimethyl-C-piperidin-3-yl-metha
ID: BP-11901
Supplier:BroadPharm

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SMILES:S(=O)(=O)(N(C)C)CC1CNCCC1	
FORMULA: C8H18N2O2S
MASS: 206.3057
EXACT MASS: 206.1088988
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.6000     0.0000 
   C   3    0.5975     1.0378     0.0000 
   O   4    0.6011     1.1604     0.8460     0.0000 
   O   5    0.6010     0.6010     1.1985     0.8501     0.0000 
   N   6    1.8000     2.4000     1.5865     1.3138     2.1636     0.0000 
   C   7    1.0378     1.5865     0.6000     0.9004     1.5863     1.0378 
   C   8    1.2000     1.8000     1.0378     0.7424     1.5878     0.6000 
   C   9    1.1562     0.5974     1.4331     1.7440     1.1578     2.9320 
   C  10    1.1096     0.6010     1.6256     1.5509     0.7313     2.8568 
   C  11    2.1626     2.7490     1.8000     1.7778     2.6147     0.5975 
   C  12    1.5863     2.0776     1.0398     1.5000     2.1629     1.1985 
   C  13    2.0776     2.6147     1.5878     1.8507     2.6150     1.0375 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5975     0.0000 
   C   9    2.0282     2.3359     0.0000 
   C  10    2.1430     2.2652     0.7308     0.0000 
   C  11    1.2000     1.0378     3.2239     3.2638     0.0000 
   C  12    0.6010     1.0375     2.4312     2.6626     1.0398     0.0000 
   C  13    1.0398     1.1985     3.0084     3.1811     0.6010     0.6000 

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



ATOMIC CHARGES
   S   1    0.0439381593
   N   2   -0.1564730308
   C   3    0.1704767250
   O   4   -0.1572860570
   O   5   -0.1572860570
   N   6   -0.2179945733
   C   7    0.0427214329
   C   8    0.0904591273
   C   9    0.1145596651
   C  10    0.1145596651
   C  11    0.0886979094
   C  12    0.0047205922
   C  13    0.0189064417


BOND ANGLES
   2    1    3   N3  So2   C3    120.140
   2    1    4   N3  So2   O2    150.061
   2    1    5   N3  So2   O2     60.056
   3    1    4   C3  So2   O2     89.799
   3    1    5   C3  So2   O2    179.804
   4    1    5   O2  So2   O2     90.005
   1    2    9  So2   N3   C3    149.855
   1    2   10  So2   N3   C3    135.000
   9    2   10   C3   N3   C3     75.145
   1    3    7  So2   C3   C3    120.140
   8    6   11   C3   N3   C3    120.140
   3    7    8   C3   C3   C3    120.140
   3    7   12   C3   C3   C3    119.944
   8    7   12   C3   C3   C3    119.917
   6    8    7   N3   C3   C3    120.140
   6   11   13   N3   C3   C3    119.917
   7   12   13   C3   C3   C3    119.944
  11   13   12   C3   C3   C3    119.944


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


CHIRAL ATOMS
   8    6   11   13      0.026