ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate

C14H17NO4S — CID 15142030

IUPACethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(=O)N1c1ccccc1S(C)=O
InChIInChI=1S/C14H17NO4S/c1-3-19-14(17)11-8-9-13(16)15(11)10-6-4-5-7-12(10)20(2)18/h4-7,11H,3,8-9H2,1-2H3
InChIKeyAMITYEBPELQKLM-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.48
Rot. Bonds4

About ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate

ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 15142030) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID15142030
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Nameethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(=O)N1c1ccccc1S(C)=O
InChIInChI=1S/C14H17NO4S/c1-3-19-14(17)11-8-9-13(16)15(11)10-6-4-5-7-12(10)20(2)18/h4-7,11H,3,8-9H2,1-2H3
InChIKeyAMITYEBPELQKLM-UHFFFAOYSA-N
XLogP1.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate 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 ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate (CID 15142030) is ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1CCC(=O)N1c1ccccc1S(C)=O.
What is the InChIKey of ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is AMITYEBPELQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-19-14(17)11-8-9-13(16)15(11)10-6-4-5-7-12(10)20(2)18/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate?
ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylsulfinylphenyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 15142030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).