1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one

C6H11NO2S — CID 168709345

IUPAC1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCO
InChIInChI=1S/C6H11NO2S/c8-2-1-7-4-5(10)3-6(7)9/h5,8,10H,1-4H2
InChIKeyRLYFTJKABRECDF-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.49
Rot. Bonds2

About 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one

1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709345) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709345
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1CCO
InChIInChI=1S/C6H11NO2S/c8-2-1-7-4-5(10)3-6(7)9/h5,8,10H,1-4H2
InChIKeyRLYFTJKABRECDF-UHFFFAOYSA-N
XLogP-0.49
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one (CID 168709345) is 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is RLYFTJKABRECDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-2-1-7-4-5(10)3-6(7)9/h5,8,10H,1-4H2.
What are the key properties of 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one?
1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).