5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid

C12H16O3S — CID 79083639

IUPAC5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid
SMILESCC(SC1CCCC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H16O3S/c1-8(16-9-4-2-3-5-9)10-6-7-11(15-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyHPKRADNKSXWEBU-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.71
Rot. Bonds4

About 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid

5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid (PubChem CID 79083639) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid
PubChem CID79083639
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid
SMILESCC(SC1CCCC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H16O3S/c1-8(16-9-4-2-3-5-9)10-6-7-11(15-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyHPKRADNKSXWEBU-UHFFFAOYSA-N
XLogP3.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-cyclopentylsulfanylethyl)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

5-(1-cyclohexylsulfanylethyl)furan-2-carboxylic acid
CID 79084513
5-(1-propan-2-ylsulfanylethyl)furan-2-carboxylic acid
CID 79084607
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[1-[methyl(oxan-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 79084182
5-[1-(4-propan-2-ylphenyl)sulfanylethyl]furan-2-carboxylic acid
CID 20989988
5-[1-(3-aminopropylsulfanyl)ethyl]furan-2-carboxylic acid
CID 79083738
5-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]furan-2-carboxylic acid
CID 20990725
5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
CID 103249989

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid (CID 79083639) is 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid is CC(SC1CCCC1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid?
The InChIKey is HPKRADNKSXWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-8(16-9-4-2-3-5-9)10-6-7-11(15-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid?
5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid has a molecular weight of 240.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylsulfanylethyl)furan-2-carboxylic acid is sourced from PubChem (CID 79083639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).