4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C9H12N2O5S3 — CID 19737951

IUPAC4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESC=CCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C9H12N2O5S3/c1-2-3-11-5-7(12)6-4-8(18(10,13)14)17-9(6)19(11,15)16/h2,4,7,12H,1,3,5H2,(H2,10,13,14)
InChIKeyWHACDSPWZCNNCK-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.38
Rot. Bonds3

About 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 19737951) has the molecular formula C9H12N2O5S3 and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID19737951
Molecular FormulaC9H12N2O5S3
Molecular Weight324.41 g/mol
Exact Mass323.99
IUPAC Name4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESC=CCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C9H12N2O5S3/c1-2-3-11-5-7(12)6-4-8(18(10,13)14)17-9(6)19(11,15)16/h2,4,7,12H,1,3,5H2,(H2,10,13,14)
InChIKeyWHACDSPWZCNNCK-UHFFFAOYSA-N
XLogP-0.38
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-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 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 19737951) is 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is C=CCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is WHACDSPWZCNNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S3/c1-2-3-11-5-7(12)6-4-8(18(10,13)14)17-9(6)19(11,15)16/h2,4,7,12H,1,3,5H2,(H2,10,13,14).
What are the key properties of 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxo-2-prop-2-enyl-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19737951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).