Sign In Join Free

Products Information

4-(Piperidin-4-ylmethanesulfonyl)-m
4-(Piperidin-4-ylmethanesulfonyl)-m
ID: BP-11571
Supplier:BroadPharm

Get a quote


SMILES:S(=O)(=O)(N1CCOCC1)CC1CCNCC1	
FORMULA: C10H20N2O3S
MASS: 248.3424
EXACT MASS: 248.1194635
INTERATOMIC DISTANCES

              S   1      N   2      C   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    0.8239     0.0000 
   C   3    0.7778     1.3625     0.0000 
   O   4    0.8211     1.4379     1.3958     0.0000 
   O   5    0.8309     1.6419     1.0105     0.6167     0.0000 
   N   6    2.8136     3.6157     2.3706     2.6922     2.1280     0.0000 
   O   7    2.4069     1.5831     2.8457     2.9202     3.2173     5.1789 
   C   8    1.3960     0.7933     2.0879     1.6464     2.0757     4.1790 
   C   9    1.4042     0.7917     1.5758     2.1588     2.2179     3.9464 
   C  10    1.3378     2.0830     0.7876     1.5707     0.9709     1.5829 
   C  11    2.1214     1.3709     2.7334     2.4361     2.8510     4.9316 
   C  12    2.1295     1.3722     2.3691     2.8100     2.9589     4.7397 
   C  13    2.3329     3.1567     2.0912     2.0365     1.5467     0.7897 
   C  14    2.7085     3.4390     2.0911     2.8226     2.2086     0.7916 
   C  15    1.5396     2.3634     1.3664     1.3221     0.7701     1.3708 
   C  16    2.0683     2.7333     1.3708     2.3612     1.7559     1.3664 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    1.3701     0.0000 
   C   9    1.3709     1.3722     0.0000 
   C  10    3.6158     2.7333     2.3634     0.0000 
   C  11    0.7917     0.7897     1.5831     3.4391     0.0000 
   C  12    0.7897     1.5833     0.7933     3.1567     1.3701     0.0000 
   C  13    4.7398     3.6197     3.6183     1.3722     4.3975     4.3996 
   C  14    4.9316     4.1041     3.6157     1.3708     4.8035     4.3974 
   C  15    3.9464     2.8445     2.8436     0.7916     3.6158     3.6182 
   C  16    4.1799     3.4436     2.8456     0.7913     4.1042     3.6211 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.3701     0.0000 
   C  15    0.7933     1.5829     0.0000 
   C  16    1.5792     0.7876     1.3685     0.0000 



ATOMIC CHARGES
   S   1    0.0439553305
   N   2   -0.1542944670
   C   3    0.1691359238
   O   4   -0.1572858475
   O   5   -0.1572858475
   N   6   -0.2180494368
   O   7   -0.3506936891
   C   8    0.1274920596
   C   9    0.1274920596
   C  10    0.0281402732
   C  11    0.1612914211
   C  12    0.1612914211
   C  13    0.0887515813
   C  14    0.0887515813
   C  15    0.0206538182
   C  16    0.0206538182


BOND ANGLES
   2    1    3   N3  So2   C3    116.535
   2    1    4   N3  So2   O2    121.880
   2    1    5   N3  So2   O2    165.714
   3    1    4   C3  So2   O2    121.585
   3    1    5   C3  So2   O2     77.750
   4    1    5   O2  So2   O2     43.835
   1    2    8  So2   N3   C3    119.356
   1    2    9  So2   N3   C3    120.714
   8    2    9   C3   N3   C3    119.929
   1    3   10  So2   C3   C3    117.426
  13    6   14   C3   N3   C3    120.088
  11    7   12   C3   O3   C3    120.078
   2    8   11   N3   C3   C3    119.993
   2    9   12   N3   C3   C3    119.929
   3   10   15   C3   C3   C3    119.823
   3   10   16   C3   C3   C3    120.504
  15   10   16   C3   C3   C3    119.672
   7   11    8   O3   C3   C3    120.078
   7   12    9   O3   C3   C3    119.993
   6   13   15   N3   C3   C3    119.977
   6   14   16   N3   C3   C3    119.823
  10   15   13   C3   C3   C3    119.936
  10   16   14   C3   C3   C3    120.504


TORSION ANGLES
   8    2    1    3    179.974
   8    2    1    4      0.026
   8    2    1    5      0.026
   9    2    1    3      0.026
   9    2    1    4    179.974
   9    2    1    5    179.974
  10    3    1    2    179.974
  10    3    1    4      0.026
  10    3    1    5      0.026
  14    6   13   15      0.026
  12    7   11    8      0.026
  11    8    2    1    179.974
  11    8    2    9      0.026
  12    9    2    1    179.974
  12    9    2    8      0.026
  15   10    3    1      0.026
  16   10    3    1    179.974
   7   11    8    2      0.026
   7   12    9    2      0.026
   6   13   15   10      0.026
   6   14   16   10      0.026
  13   15   10    3    179.974
  13   15   10   16      0.026
  14   16   10    3    179.974
  14   16   10   15      0.026
   9   12    7   11      0.026
  13    6   14   16      0.026