1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one

C5H8N2O3S — CID 57289772

IUPAC1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one
SMILESO=C1NS(=O)(=O)C2NCCC12
InChIInChI=1S/C5H8N2O3S/c8-4-3-1-2-6-5(3)11(9,10)7-4/h3,5-6H,1-2H2,(H,7,8)
InChIKeyUHGQVUYPPGVEIE-UHFFFAOYSA-N
MW176.20 g/mol
LogP-1.62
Rot. Bonds

About 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one

1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one (PubChem CID 57289772) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one
PubChem CID57289772
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one
SMILESO=C1NS(=O)(=O)C2NCCC12
InChIInChI=1S/C5H8N2O3S/c8-4-3-1-2-6-5(3)11(9,10)7-4/h3,5-6H,1-2H2,(H,7,8)
InChIKeyUHGQVUYPPGVEIE-UHFFFAOYSA-N
XLogP-1.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

(7aS)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one
CID 166863529
(3aS,7aR)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 131122587
(1R,2S,6R,7S)-3,3-dioxo-10-oxa-3λ6-thia-4-azatricyclo[5.2.1.02,6]decan-5-one
CID 22837250
(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
CID 69327135
5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one
CID 129064401
(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
CID 178194652
3-cyclobutylpyrrolidin-2-one
CID 105428038
2,6-diazabicyclo[3.2.1]octan-7-one
CID 59202076
1-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one
CID 163388924
(14S,17R)-12,12-dimethyl-2,2-dioxo-17-pyridin-2-yl-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosan-4-one
CID 164519187
4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 45024460
5-methylboranylidene-2,3,3a,7a-tetrahydro-1H-indol-4-one
CID 123441807

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one?
The IUPAC name of 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one (CID 57289772) is 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one.
What is the SMILES notation for 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one?
The canonical SMILES for 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one is O=C1NS(=O)(=O)C2NCCC12.
What is the InChIKey of 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one?
The InChIKey is UHGQVUYPPGVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c8-4-3-1-2-6-5(3)11(9,10)7-4/h3,5-6H,1-2H2,(H,7,8).
What are the key properties of 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one?
1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one has a molecular weight of 176.20 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one is sourced from PubChem (CID 57289772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).