(5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one

C7H12O2S — CID 134854591

IUPAC(5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one
SMILESCC1C(=O)O[C@H](CS)C1C
InChIInChI=1S/C7H12O2S/c1-4-5(2)7(8)9-6(4)3-10/h4-6,10H,3H2,1-2H3/t4?,5?,6-/m1/s1
InChIKeyJGIBMZDJBJNLSS-JMMWHDCWSA-N
MW160.24 g/mol
LogP1.11
Rot. Bonds1

About (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one

(5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one (PubChem CID 134854591) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one
PubChem CID134854591
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name(5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one
SMILESCC1C(=O)O[C@H](CS)C1C
InChIInChI=1S/C7H12O2S/c1-4-5(2)7(8)9-6(4)3-10/h4-6,10H,3H2,1-2H3/t4?,5?,6-/m1/s1
InChIKeyJGIBMZDJBJNLSS-JMMWHDCWSA-N
XLogP1.11
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-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

Related Compounds

3,4,5-Trimethyldihydrofuran-2-one
CID 544600
Thio-4-pentanolide
CID 23652099
Valeric acid, 4-hydroxy-3-mercapto-, gamma-lactone
CID 143325
(3S,4R,5R)-3,4,5-trimethyloxolan-2-one
CID 13524433
(3R,4S,5S)-3,4,5-trimethyloxolan-2-one
CID 100938649
3-Ethanethioyl-5-methyloxolan-2-one
CID 134985857
(3R,4R,5S)-3,4,5-trimethyloxolan-2-one
CID 13524431
(3R,4R,5R)-3,4,5-trimethyloxolan-2-one
CID 13524432
9-Methyl-7-oxa-3,4-dithiabicyclo[4.2.1]nonan-8-one
CID 18964258
4-Methyl-3,5-bis(sulfanylmethyl)oxolan-2-one
CID 19096332
5-(2-Sulfanylethyl)-3-(sulfanylmethyl)oxolan-2-one
CID 19378142
2,4-Bis(mercaptomethyl)-4-butanolide
CID 19378144

Frequently Asked Questions

What is the IUPAC name of (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one?
The IUPAC name of (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one (CID 134854591) is (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one.
What is the SMILES notation for (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one?
The canonical SMILES for (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one is CC1C(=O)O[C@H](CS)C1C.
What is the InChIKey of (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one?
The InChIKey is JGIBMZDJBJNLSS-JMMWHDCWSA-N. The full InChI is InChI=1S/C7H12O2S/c1-4-5(2)7(8)9-6(4)3-10/h4-6,10H,3H2,1-2H3/t4?,5?,6-/m1/s1.
What are the key properties of (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one?
(5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one has a molecular weight of 160.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,4-dimethyl-5-(sulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 134854591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).