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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Phenyl-(1-pyridin-4-yl-ethyl)-amine
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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).