N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine

C14H21NS — CID 96661182

IUPACN-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
SMILESCSc1ccc(CCNC2CCCC2)cc1
InChIInChI=1S/C14H21NS/c1-16-14-8-6-12(7-9-14)10-11-15-13-4-2-3-5-13/h6-9,13,15H,2-5,10-11H2,1H3
InChIKeyYYQVFRJMDHFCIM-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine

N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine (PubChem CID 96661182) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
PubChem CID96661182
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
SMILESCSc1ccc(CCNC2CCCC2)cc1
InChIInChI=1S/C14H21NS/c1-16-14-8-6-12(7-9-14)10-11-15-13-4-2-3-5-13/h6-9,13,15H,2-5,10-11H2,1H3
InChIKeyYYQVFRJMDHFCIM-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
N-[2-(3,5-difluorophenyl)ethyl]cycloheptanamine
CID 55091377
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine (CID 96661182) is N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine is CSc1ccc(CCNC2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine?
The InChIKey is YYQVFRJMDHFCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-16-14-8-6-12(7-9-14)10-11-15-13-4-2-3-5-13/h6-9,13,15H,2-5,10-11H2,1H3.
What are the key properties of N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine?
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine has a molecular weight of 235.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine is sourced from PubChem (CID 96661182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).