2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine

C13H21NOS — CID 63115985

IUPAC2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)SC1CCCC1
InChIInChI=1S/C13H21NOS/c1-11(16-13-6-2-3-7-13)9-14-10-12-5-4-8-15-12/h4-5,8,11,13-14H,2-3,6-7,9-10H2,1H3
InChIKeyYMOLPQBPESGBBU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.43
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine

2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 63115985) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID63115985
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccco1)SC1CCCC1
InChIInChI=1S/C13H21NOS/c1-11(16-13-6-2-3-7-13)9-14-10-12-5-4-8-15-12/h4-5,8,11,13-14H,2-3,6-7,9-10H2,1H3
InChIKeyYMOLPQBPESGBBU-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine 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

N-(furan-2-ylmethyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-amine
CID 107782540
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine (CID 63115985) is 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine is CC(CNCc1ccco1)SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is YMOLPQBPESGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(16-13-6-2-3-7-13)9-14-10-12-5-4-8-15-12/h4-5,8,11,13-14H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine?
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63115985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).