2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid

C6H9NO2S — CID 57303794

IUPAC2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
SMILESO=C(S)CN1CCCC1=O
InChIInChI=1S/C6H9NO2S/c8-5-2-1-3-7(5)4-6(9)10/h1-4H2,(H,9,10)
InChIKeyCYDNKQWVYCGPMF-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.07
Rot. Bonds2

About 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid

2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid (PubChem CID 57303794) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
PubChem CID57303794
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
SMILESO=C(S)CN1CCCC1=O
InChIInChI=1S/C6H9NO2S/c8-5-2-1-3-7(5)4-6(9)10/h1-4H2,(H,9,10)
InChIKeyCYDNKQWVYCGPMF-UHFFFAOYSA-N
XLogP0.07
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid 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

2-(2-oxopiperidin-1-yl)acetate
CID 18981165
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
1-(2-hydroxyiminopropyl)pyrrolidin-2-one
CID 72586532
2-(2-oxopyrrolidin-1-yl)ethanimidamide
CID 11971110
1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
CID 23348612
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid (CID 57303794) is 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid is O=C(S)CN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid?
The InChIKey is CYDNKQWVYCGPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c8-5-2-1-3-7(5)4-6(9)10/h1-4H2,(H,9,10).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid?
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid has a molecular weight of 159.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid is sourced from PubChem (CID 57303794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).