Mrv1652306031608502D          

 16 17  0  0  0  0            999 V2000
    0.3020    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.4757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    2.3007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    2.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    1.8882    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
 10  6  2  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  2  0  0  0  0
 16 15  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045103

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C)S(=O)(=O)N1CC1CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H16N2O2S/c1-12(2)16(14,15)13-9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3

> <INCHI_KEY>
BLDWVIFYJWKNPQ-UHFFFAOYSA-N

> <FORMULA>
C11H16N2O2S

> <MOLECULAR_WEIGHT>
240.32

> <EXACT_MASS>
240.093248937

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
24.356839916212824

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-benzyl-N,N-dimethylaziridine-1-sulfonamide

> <ALOGPS_LOGP>
0.96

> <JCHEM_LOGP>
0.8047767943333338

> <ALOGPS_LOGS>
-1.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1543457252450193

> <JCHEM_POLAR_SURFACE_AREA>
40.39

> <JCHEM_REFRACTIVITY>
63.497200000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.66e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-benzyl-N,N-dimethylaziridine-1-sulfonamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
(2S)-2-benzyl-N,N-dimethylaziridine-1-sulfonamide

> <CAS>
902146-43-4

$$$$