6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

C13H15NOS — CID 14869286

IUPAC6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESCCN1C(=O)C2(C)CSC12c1ccccc1
InChIInChI=1S/C13H15NOS/c1-3-14-11(15)12(2)9-16-13(12,14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyKHOZWCGVIRZJBO-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.45
Rot. Bonds2

About 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (PubChem CID 14869286) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.

Molecular Properties

Compound Name6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
PubChem CID14869286
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESCCN1C(=O)C2(C)CSC12c1ccccc1
InChIInChI=1S/C13H15NOS/c1-3-14-11(15)12(2)9-16-13(12,14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyKHOZWCGVIRZJBO-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-4-methyl-1-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The IUPAC name of 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (CID 14869286) is 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.
What is the SMILES notation for 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The canonical SMILES for 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is CCN1C(=O)C2(C)CSC12c1ccccc1.
What is the InChIKey of 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The InChIKey is KHOZWCGVIRZJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-3-14-11(15)12(2)9-16-13(12,14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one has a molecular weight of 233.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is sourced from PubChem (CID 14869286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).