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

C12H15NO5S — CID 114236057

IUPAC3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CS(=O)CC(=O)N1CCCC1
InChIInChI=1S/C12H15NO5S/c14-10(13-4-1-2-5-13)8-19(17)7-9-3-6-18-11(9)12(15)16/h3,6H,1-2,4-5,7-8H2,(H,15,16)
InChIKeyVEKXTOARCUSXLD-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.85
Rot. Bonds5

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

3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid (PubChem CID 114236057) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid
PubChem CID114236057
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CS(=O)CC(=O)N1CCCC1
InChIInChI=1S/C12H15NO5S/c14-10(13-4-1-2-5-13)8-19(17)7-9-3-6-18-11(9)12(15)16/h3,6H,1-2,4-5,7-8H2,(H,15,16)
InChIKeyVEKXTOARCUSXLD-UHFFFAOYSA-N
XLogP0.85
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-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

Related Compounds

3-[(2-methylphenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 55112828
3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
1-(2-benzylsulfinylacetyl)piperidin-4-one
CID 64641270
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(S)-(2-methylphenyl)methylsulfinyl]ethanone
CID 95318677
3-(naphthalen-2-ylsulfinylmethyl)furan-2-carboxylic acid
CID 61302770
5-(2-oxo-2-piperidin-1-ylethyl)sulfinylfuran-2-carboxylic acid
CID 63944401
3-[(cyclohexylmethylamino)methyl]furan-2-carboxylic acid
CID 103237829
3-[(4-oxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61345549
2-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78828125
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
CID 43628352
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 113318087

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid (CID 114236057) is 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid is O=C(O)c1occc1CS(=O)CC(=O)N1CCCC1.
What is the InChIKey of 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid?
The InChIKey is VEKXTOARCUSXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-10(13-4-1-2-5-13)8-19(17)7-9-3-6-18-11(9)12(15)16/h3,6H,1-2,4-5,7-8H2,(H,15,16).
What are the key properties of 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid?
3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfinylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 114236057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).