(4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

C9H12ClNO4S2 — CID 15294529

IUPAC(4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCN1C[C@@H](O)c2cc(Cl)sc2S1(=O)=O
InChIInChI=1S/C9H12ClNO4S2/c1-15-3-2-11-5-7(12)6-4-8(10)16-9(6)17(11,13)14/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1
InChIKeySVEQVOJCOFENIS-SSDOTTSWSA-N
MW297.79 g/mol
LogP1.09
Rot. Bonds3

About (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

(4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (PubChem CID 15294529) has the molecular formula C9H12ClNO4S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
PubChem CID15294529
Molecular FormulaC9H12ClNO4S2
Molecular Weight297.79 g/mol
Exact Mass296.99
IUPAC Name(4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
SMILESCOCCN1C[C@@H](O)c2cc(Cl)sc2S1(=O)=O
InChIInChI=1S/C9H12ClNO4S2/c1-15-3-2-11-5-7(12)6-4-8(10)16-9(6)17(11,13)14/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1
InChIKeySVEQVOJCOFENIS-SSDOTTSWSA-N
XLogP1.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol 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 (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The IUPAC name of (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol (CID 15294529) is (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The canonical SMILES for (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is COCCN1C[C@@H](O)c2cc(Cl)sc2S1(=O)=O.
What is the InChIKey of (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
The InChIKey is SVEQVOJCOFENIS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClNO4S2/c1-15-3-2-11-5-7(12)6-4-8(10)16-9(6)17(11,13)14/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1.
What are the key properties of (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol?
(4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol has a molecular weight of 297.79 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 15294529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).