1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione

C9H13NO3S — CID 59248646

IUPAC1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SCC(C)=O)C1=O
InChIInChI=1S/C9H13NO3S/c1-3-10-8(12)4-7(9(10)13)14-5-6(2)11/h7H,3-5H2,1-2H3
InChIKeyQKFMFSLYMRMANI-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.46
Rot. Bonds4

About 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione

1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 59248646) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
PubChem CID59248646
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SCC(C)=O)C1=O
InChIInChI=1S/C9H13NO3S/c1-3-10-8(12)4-7(9(10)13)14-5-6(2)11/h7H,3-5H2,1-2H3
InChIKeyQKFMFSLYMRMANI-UHFFFAOYSA-N
XLogP0.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione 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-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione (CID 59248646) is 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione is CCN1C(=O)CC(SCC(C)=O)C1=O.
What is the InChIKey of 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is QKFMFSLYMRMANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-3-10-8(12)4-7(9(10)13)14-5-6(2)11/h7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 215.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59248646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).