3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine

C12H19NOS — CID 115656792

IUPAC3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccco2)C1
InChIInChI=1S/C12H19NOS/c1-2-15-12-6-5-10(8-12)13-9-11-4-3-7-14-11/h3-4,7,10,12-13H,2,5-6,8-9H2,1H3
InChIKeyPJLGLBYKMFAGST-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.04
Rot. Bonds5

About 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine

3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine (PubChem CID 115656792) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
PubChem CID115656792
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccco2)C1
InChIInChI=1S/C12H19NOS/c1-2-15-12-6-5-10(8-12)13-9-11-4-3-7-14-11/h3-4,7,10,12-13H,2,5-6,8-9H2,1H3
InChIKeyPJLGLBYKMFAGST-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine (CID 115656792) is 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine is CCSC1CCC(NCc2ccco2)C1.
What is the InChIKey of 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is PJLGLBYKMFAGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-15-12-6-5-10(8-12)13-9-11-4-3-7-14-11/h3-4,7,10,12-13H,2,5-6,8-9H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine?
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 115656792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).