5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid

C12H15NO4S — CID 114235821

IUPAC5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CSCC(=O)N2CCCC2)c1
InChIInChI=1S/C12H15NO4S/c14-11(13-3-1-2-4-13)8-18-7-10-5-9(6-17-10)12(15)16/h5-6H,1-4,7-8H2,(H,15,16)
InChIKeyWNYKCEBMUUCNGV-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.83
Rot. Bonds5

About 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid

5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid (PubChem CID 114235821) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid
PubChem CID114235821
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CSCC(=O)N2CCCC2)c1
InChIInChI=1S/C12H15NO4S/c14-11(13-3-1-2-4-13)8-18-7-10-5-9(6-17-10)12(15)16/h5-6H,1-4,7-8H2,(H,15,16)
InChIKeyWNYKCEBMUUCNGV-UHFFFAOYSA-N
XLogP1.83
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid 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 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid (CID 114235821) is 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid is O=C(O)c1coc(CSCC(=O)N2CCCC2)c1.
What is the InChIKey of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid?
The InChIKey is WNYKCEBMUUCNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-11(13-3-1-2-4-13)8-18-7-10-5-9(6-17-10)12(15)16/h5-6H,1-4,7-8H2,(H,15,16).
What are the key properties of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid?
5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]furan-3-carboxylic acid is sourced from PubChem (CID 114235821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).