(1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate

C8H13NO4S — CID 91049365

IUPAC(1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate
SMILESCCN1C(=O)C(SOC(C)=O)CC1O
InChIInChI=1S/C8H13NO4S/c1-3-9-7(11)4-6(8(9)12)14-13-5(2)10/h6-7,11H,3-4H2,1-2H3
InChIKeyIALUYWJKYOMETR-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.14
Rot. Bonds3

About (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate

(1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate (PubChem CID 91049365) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate.

Molecular Properties

Compound Name(1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate
PubChem CID91049365
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name(1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate
SMILESCCN1C(=O)C(SOC(C)=O)CC1O
InChIInChI=1S/C8H13NO4S/c1-3-9-7(11)4-6(8(9)12)14-13-5(2)10/h6-7,11H,3-4H2,1-2H3
InChIKeyIALUYWJKYOMETR-UHFFFAOYSA-N
XLogP0.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate?
The IUPAC name of (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate (CID 91049365) is (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate.
What is the SMILES notation for (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate?
The canonical SMILES for (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate is CCN1C(=O)C(SOC(C)=O)CC1O.
What is the InChIKey of (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate?
The InChIKey is IALUYWJKYOMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-3-9-7(11)4-6(8(9)12)14-13-5(2)10/h6-7,11H,3-4H2,1-2H3.
What are the key properties of (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate?
(1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate has a molecular weight of 219.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-hydroxy-2-oxopyrrolidin-3-yl)sulfanyl acetate is sourced from PubChem (CID 91049365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).