6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide

C8H9NO3S3 — CID 10467945

IUPAC6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
SMILESCC1CC(=O)c2cc(S(N)(=O)=O)sc2S1
InChIInChI=1S/C8H9NO3S3/c1-4-2-6(10)5-3-7(15(9,11)12)14-8(5)13-4/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKeyQMNAQPMXDMLOLD-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.46
Rot. Bonds1

About 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide

6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 10467945) has the molecular formula C8H9NO3S3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID10467945
Molecular FormulaC8H9NO3S3
Molecular Weight263.36 g/mol
Exact Mass262.97
IUPAC Name6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
SMILESCC1CC(=O)c2cc(S(N)(=O)=O)sc2S1
InChIInChI=1S/C8H9NO3S3/c1-4-2-6(10)5-3-7(15(9,11)12)14-8(5)13-4/h3-4H,2H2,1H3,(H2,9,11,12)
InChIKeyQMNAQPMXDMLOLD-UHFFFAOYSA-N
XLogP1.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide 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-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide (CID 10467945) is 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide is CC1CC(=O)c2cc(S(N)(=O)=O)sc2S1.
What is the InChIKey of 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is QMNAQPMXDMLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S3/c1-4-2-6(10)5-3-7(15(9,11)12)14-8(5)13-4/h3-4H,2H2,1H3,(H2,9,11,12).
What are the key properties of 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide?
6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 10467945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).