2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine

C18H22N2S — CID 103948537

IUPAC2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H22N2S/c1-21-17-9-5-8-16(17)20-18(14-6-3-2-4-7-14)15-10-12-19-13-11-15/h2-4,6-7,10-13,16-18,20H,5,8-9H2,1H3
InChIKeyGKUXCLZUNVXTEL-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.04
Rot. Bonds5

About 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine

2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine (PubChem CID 103948537) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine
PubChem CID103948537
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H22N2S/c1-21-17-9-5-8-16(17)20-18(14-6-3-2-4-7-14)15-10-12-19-13-11-15/h2-4,6-7,10-13,16-18,20H,5,8-9H2,1H3
InChIKeyGKUXCLZUNVXTEL-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776484
3-[(2-methylsulfanylcyclopentyl)amino]-3-phenylpropanenitrile
CID 114121615
trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
CID 102733078
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
CID 113250285
1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
CID 61210102
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
CID 124866784
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine (CID 103948537) is 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine is CSC1CCCC1NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is GKUXCLZUNVXTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-21-17-9-5-8-16(17)20-18(14-6-3-2-4-7-14)15-10-12-19-13-11-15/h2-4,6-7,10-13,16-18,20H,5,8-9H2,1H3.
What are the key properties of 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine?
2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103948537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).