4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C9H14N2O6S3 — CID 19737932

IUPAC4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(CCCO)CC2O
InChIInChI=1S/C9H14N2O6S3/c10-19(14,15)8-4-6-7(13)5-11(2-1-3-12)20(16,17)9(6)18-8/h4,7,12-13H,1-3,5H2,(H2,10,14,15)
InChIKeyOWOPYQNYDOSMTJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP-1.18
Rot. Bonds4

About 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 19737932) has the molecular formula C9H14N2O6S3 and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID19737932
Molecular FormulaC9H14N2O6S3
Molecular Weight342.42 g/mol
Exact Mass342.00
IUPAC Name4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(CCCO)CC2O
InChIInChI=1S/C9H14N2O6S3/c10-19(14,15)8-4-6-7(13)5-11(2-1-3-12)20(16,17)9(6)18-8/h4,7,12-13H,1-3,5H2,(H2,10,14,15)
InChIKeyOWOPYQNYDOSMTJ-UHFFFAOYSA-N
XLogP-1.18
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 19737932) is 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(CCCO)CC2O.
What is the InChIKey of 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is OWOPYQNYDOSMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S3/c10-19(14,15)8-4-6-7(13)5-11(2-1-3-12)20(16,17)9(6)18-8/h4,7,12-13H,1-3,5H2,(H2,10,14,15).
What are the key properties of 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19737932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).