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

C11H12N2O5S4 — CID 1611

IUPAC4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(Cc1cccs1)CC2O
InChIInChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)
InChIKeyHHPUQNGRNUOYCD-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.69
Rot. Bonds3

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

4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 1611) has the molecular formula C11H12N2O5S4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID1611
Molecular FormulaC11H12N2O5S4
Molecular Weight380.49 g/mol
Exact Mass379.96
IUPAC Name4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(Cc1cccs1)CC2O
InChIInChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)
InChIKeyHHPUQNGRNUOYCD-UHFFFAOYSA-N
XLogP0.69
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 1611) is 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(Cc1cccs1)CC2O.
What is the InChIKey of 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is HHPUQNGRNUOYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16).
What are the key properties of 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 1611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).