(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

C17H15NOS — CID 101116596

IUPAC(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESC[C@@]12CS[C@]1(c1ccccc1)N(c1ccccc1)C2=O
InChIInChI=1S/C17H15NOS/c1-16-12-20-17(16,13-8-4-2-5-9-13)18(15(16)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3/t16-,17-/m0/s1
InChIKeyVIBHTRKDWYXLIX-IRXDYDNUSA-N
MW281.38 g/mol
LogP3.64
Rot. Bonds2

About (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (PubChem CID 101116596) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.

Molecular Properties

Compound Name(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
PubChem CID101116596
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESC[C@@]12CS[C@]1(c1ccccc1)N(c1ccccc1)C2=O
InChIInChI=1S/C17H15NOS/c1-16-12-20-17(16,13-8-4-2-5-9-13)18(15(16)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3/t16-,17-/m0/s1
InChIKeyVIBHTRKDWYXLIX-IRXDYDNUSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzyl-3-methyl-1-phenylazetidine-2,4-dione
CID 44626902
6-Benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
CID 14869288
1-(Dimethylamino)-4,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexane-3,5-dione
CID 134873866
(3R,4R)-3-ethylsulfanyl-2-oxo-1,4-diphenylazetidine-3-carbonitrile
CID 134919887
2-methylsulfanyl-N,N,2-triphenylacetamide
CID 135072234
S-[(2S,3R)-3-methyl-4-oxo-1,2,3-triphenylazetidin-2-yl] ethanethioate
CID 139180441
(3R,4R)-3-methylsulfanyl-1,3,4-triphenylazetidin-2-one
CID 162406085
(4R)-8-(2-fluorophenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one
CID 101228226
(4S)-8-(2-fluoro-5-methylphenyl)-3,3-diphenyl-1-thia-8-azaspiro[3.4]octan-7-one
CID 102017733
2-Thia-6-azabicyclo[2.2.0]hexan-5-one, 4-methyl-1,6-diphenyl-
CID 10978890
N-phenyl-4-(2-phenyl-1,3-dithian-2-yl)butanamide
CID 60201746
3,5,5-Triphenyl-1,3-thiazinane-2,4-dione
CID 19838635

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The IUPAC name of (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (CID 101116596) is (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.
What is the SMILES notation for (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The canonical SMILES for (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is C[C@@]12CS[C@]1(c1ccccc1)N(c1ccccc1)C2=O.
What is the InChIKey of (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The InChIKey is VIBHTRKDWYXLIX-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H15NOS/c1-16-12-20-17(16,13-8-4-2-5-9-13)18(15(16)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3/t16-,17-/m0/s1.
What are the key properties of (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one has a molecular weight of 281.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is sourced from PubChem (CID 101116596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).