N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

C17H21NOS — CID 104531266

IUPACN-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(c2ccccc2)c2ccco2)C1
InChIInChI=1S/C17H21NOS/c1-20-15-10-9-14(12-15)18-17(16-8-5-11-19-16)13-6-3-2-4-7-13/h2-8,11,14-15,17-18H,9-10,12H2,1H3
InChIKeyBRVFNWGEPMPWCI-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.24
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 104531266) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID104531266
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(c2ccccc2)c2ccco2)C1
InChIInChI=1S/C17H21NOS/c1-20-15-10-9-14(12-15)18-17(16-8-5-11-19-16)13-6-3-2-4-7-13/h2-8,11,14-15,17-18H,9-10,12H2,1H3
InChIKeyBRVFNWGEPMPWCI-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81296842
N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81302357
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine
CID 60781921
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752370
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
N-[(R)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229377
N-[(S)-furan-2-yl(phenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 97229376

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (CID 104531266) is N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NC(c2ccccc2)c2ccco2)C1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is BRVFNWGEPMPWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-20-15-10-9-14(12-15)18-17(16-8-5-11-19-16)13-6-3-2-4-7-13/h2-8,11,14-15,17-18H,9-10,12H2,1H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 104531266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).