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

C6H7NO3S2 — CID 22901942

IUPAC1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1(=O)NCC(O)c2ccsc21
InChIInChI=1S/C6H7NO3S2/c8-5-3-7-12(9,10)6-4(5)1-2-11-6/h1-2,5,7-8H,3H2
InChIKeyXJIFVJXWTXQPAJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.07
Rot. Bonds

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

1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (PubChem CID 22901942) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.

Molecular Properties

Compound Name1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
PubChem CID22901942
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
SMILESO=S1(=O)NCC(O)c2ccsc21
InChIInChI=1S/C6H7NO3S2/c8-5-3-7-12(9,10)6-4(5)1-2-11-6/h1-2,5,7-8H,3H2
InChIKeyXJIFVJXWTXQPAJ-UHFFFAOYSA-N
XLogP0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno(3,2-e)thiazin-4-ol
CID 11746721
(4S)-3,4-Dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazin-4-ol 1,1-Dioxide
CID 25098537
2H-Thieno(3,2-e)-1,2-thiazin-4-ol, 3,4-dihydro-, 1,1-dioxide, (4S)-
CID 59144197
2-(3-bromopropyl)-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 59144205
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide
CID 99981321
6-Chloro-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide
CID 11010059
N-tert-butyl-2-(3-fluoropropyl)-4-hydroxy-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 57026090
3,4-dihydro-2H-thieno[2,3-e][1,2]thiazin-4-ol 1,1-dioxide
CID 19738003
(4S)-2-(3-bromopropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
CID 135056232
1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
CID 104600287
4,4,4-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
CID 104600291
1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
CID 106436210

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The IUPAC name of 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol (CID 22901942) is 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol.
What is the SMILES notation for 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The canonical SMILES for 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is O=S1(=O)NCC(O)c2ccsc21.
What is the InChIKey of 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
The InChIKey is XJIFVJXWTXQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c8-5-3-7-12(9,10)6-4(5)1-2-11-6/h1-2,5,7-8H,3H2.
What are the key properties of 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol?
1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol has a molecular weight of 205.26 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol is sourced from PubChem (CID 22901942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).