6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol

C6H6ClNO3S2 — CID 11010059

IUPAC6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1(=O)NCC(O)c2cc(Cl)sc21
InChIInChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2
InChIKeyOFJGKGNJDCLNPM-UHFFFAOYSA-N
MW239.71 g/mol
LogP0.73
Rot. Bonds

About 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol

6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (PubChem CID 11010059) has the molecular formula C6H6ClNO3S2 and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
PubChem CID11010059
Molecular FormulaC6H6ClNO3S2
Molecular Weight239.71 g/mol
Exact Mass238.95
IUPAC Name6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1(=O)NCC(O)c2cc(Cl)sc21
InChIInChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2
InChIKeyOFJGKGNJDCLNPM-UHFFFAOYSA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[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

Related Compounds

(4S)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno(3,2-e)thiazin-4-ol
CID 9926764
(4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno(3,2-e)thiazin-4-ol
CID 11746721
4-Hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 22901942
2H-Thieno(3,2-e)-1,2-thiazin-4-ol, 3,4-dihydro-, 1,1-dioxide, (4S)-
CID 59144197
6-chloro-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazin-4-ol 1, 1-dioxide
CID 11109721
(4S)-6-Chloro-4-hydroxy-2-(2-methoxyethyl)-3,4-dihydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-1,1(2H)-dione
CID 15294529
(S)-N-(1,1-dimethylethyl)-3,4-dihydro-4-hydroxy-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
CID 15814288
(S)-3,4-dihydro-6-chloro-4-hydroxy-2-(4-methoxybutyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide
CID 18654596
6-chloro-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
CID 19370789
2-(2-Bromoethyl)-6-chloro-3,4-dihydro-4-hydroxy-2H-thieno[3,2-e]-1,2-thiazine 1,1-dioxide
CID 19434015
6-chloro-3,4-dihydro-2-(4-bromobutyl)-2H-thieno[3,2-e]-1,2-thiazine-4-ol 1,1-dioxide
CID 22058055
3,4-Dihydro-4-hydroxy-N-(1,1-dimethylethyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
CID 22901902

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The IUPAC name of 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (CID 11010059) is 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is O=S1(=O)NCC(O)c2cc(Cl)sc21.
What is the InChIKey of 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The InChIKey is OFJGKGNJDCLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2.
What are the key properties of 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol has a molecular weight of 239.71 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 11010059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).