2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine

C13H20N2S — CID 103882855

IUPAC2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1ccncc1
InChIInChI=1S/C13H20N2S/c1-10(11-6-8-14-9-7-11)15-12-4-3-5-13(12)16-2/h6-10,12-13,15H,3-5H2,1-2H3
InChIKeyYXLQIVMOUROEKM-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.02
Rot. Bonds4

About 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine

2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine (PubChem CID 103882855) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
PubChem CID103882855
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
SMILESCSC1CCCC1NC(C)c1ccncc1
InChIInChI=1S/C13H20N2S/c1-10(11-6-8-14-9-7-11)15-12-4-3-5-13(12)16-2/h6-10,12-13,15H,3-5H2,1-2H3
InChIKeyYXLQIVMOUROEKM-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
2-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]cyclopentan-1-amine
CID 103948537
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 95377359
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[1-(furan-2-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786666
2-imidazol-1-yl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 43734408
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786631
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 102976624

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine (CID 103882855) is 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine is CSC1CCCC1NC(C)c1ccncc1.
What is the InChIKey of 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine?
The InChIKey is YXLQIVMOUROEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(11-6-8-14-9-7-11)15-12-4-3-5-13(12)16-2/h6-10,12-13,15H,3-5H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine?
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine is sourced from PubChem (CID 103882855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).