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

C9H14N2O6S3 — CID 19003522

IUPAC4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C9H14N2O6S3/c1-17-3-2-11-5-7(12)6-4-8(19(10,13)14)18-9(6)20(11,15)16/h4,7,12H,2-3,5H2,1H3,(H2,10,13,14)
InChIKeyRQZDKKSOEDBQAS-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.92
Rot. Bonds4

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

4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 19003522) has the molecular formula C9H14N2O6S3 and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID19003522
Molecular FormulaC9H14N2O6S3
Molecular Weight342.42 g/mol
Exact Mass342.00
IUPAC Name4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O
InChIInChI=1S/C9H14N2O6S3/c1-17-3-2-11-5-7(12)6-4-8(19(10,13)14)18-9(6)20(11,15)16/h4,7,12H,2-3,5H2,1H3,(H2,10,13,14)
InChIKeyRQZDKKSOEDBQAS-UHFFFAOYSA-N
XLogP-0.92
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 19003522) is 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is COCCN1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is RQZDKKSOEDBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S3/c1-17-3-2-11-5-7(12)6-4-8(19(10,13)14)18-9(6)20(11,15)16/h4,7,12H,2-3,5H2,1H3,(H2,10,13,14).
What are the key properties of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19003522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).