OSP
  Mrv0541 02241214012D          

 18 19  0  0  0  0            999 V2000
    1.0524    0.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827   -0.2055    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    0.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2972   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683   -0.6180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9896    1.0320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    1.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021    0.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    1.7465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
DB08329

> <DATABASE_NAME>
drugbank

> <SMILES>
NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)

> <INCHI_KEY>
InChIKey=HMHVCUVYZFYAJI-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
28.098602774535323

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
290.039498326

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C10H14N2O4S2

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-(1,1-dioxo-1$l^{6},2-thiazinan-2-yl)benzene-1-sulfonamide

> <ALOGPS_LOGP>
0.37

> <JCHEM_LOGP>
-0.2659214819999998

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MASS>
290.359

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.54865541075375

> <JCHEM_POLAR_SURFACE_AREA>
97.54

> <JCHEM_REFRACTIVITY>
67.46060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.96e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sulthiame

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08329

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
SULTHIAME

$$$$