N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine

C15H23NS — CID 103786716

IUPACN-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-11-7-9-13(10-8-11)12(2)16-14-5-4-6-15(14)17-3/h7-10,12,14-16H,4-6H2,1-3H3
InChIKeyOHDYVQZOZHYAIG-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine

N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786716) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786716
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-11-7-9-13(10-8-11)12(2)16-14-5-4-6-15(14)17-3/h7-10,12,14-16H,4-6H2,1-3H3
InChIKeyOHDYVQZOZHYAIG-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786676
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2,6-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81350260
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 102976624
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262274
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262260

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine (CID 103786716) is N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NC(C)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is OHDYVQZOZHYAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-7-9-13(10-8-11)12(2)16-14-5-4-6-15(14)17-3/h7-10,12,14-16H,4-6H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).