(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one

C13H12N2O2S — CID 35501475

IUPAC(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
SMILESCc1nc2ccccc2nc1S[C@H]1CCOC1=O
InChIInChI=1S/C13H12N2O2S/c1-8-12(18-11-6-7-17-13(11)16)15-10-5-3-2-4-9(10)14-8/h2-5,11H,6-7H2,1H3/t11-/m0/s1
InChIKeyYJHWQKWVEQNLLU-NSHDSACASA-N
MW260.32 g/mol
LogP2.35
Rot. Bonds2

About (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one

(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one (PubChem CID 35501475) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
PubChem CID35501475
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
SMILESCc1nc2ccccc2nc1S[C@H]1CCOC1=O
InChIInChI=1S/C13H12N2O2S/c1-8-12(18-11-6-7-17-13(11)16)15-10-5-3-2-4-9(10)14-8/h2-5,11H,6-7H2,1H3/t11-/m0/s1
InChIKeyYJHWQKWVEQNLLU-NSHDSACASA-N
XLogP2.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-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 (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one?
The IUPAC name of (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one (CID 35501475) is (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one.
What is the SMILES notation for (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one?
The canonical SMILES for (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one is Cc1nc2ccccc2nc1S[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one?
The InChIKey is YJHWQKWVEQNLLU-NSHDSACASA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-12(18-11-6-7-17-13(11)16)15-10-5-3-2-4-9(10)14-8/h2-5,11H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one?
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one has a molecular weight of 260.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one is sourced from PubChem (CID 35501475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).