N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine

C15H23NS — CID 55112789

IUPACN-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
SMILESCc1cccc(CSCCNC2CCCC2)c1
InChIInChI=1S/C15H23NS/c1-13-5-4-6-14(11-13)12-17-10-9-16-15-7-2-3-8-15/h4-6,11,15-16H,2-3,7-10,12H2,1H3
InChIKeyARHOTCZZKZTLFS-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.76
Rot. Bonds6

About N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine

N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine (PubChem CID 55112789) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
PubChem CID55112789
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
SMILESCc1cccc(CSCCNC2CCCC2)c1
InChIInChI=1S/C15H23NS/c1-13-5-4-6-14(11-13)12-17-10-9-16-15-7-2-3-8-15/h4-6,11,15-16H,2-3,7-10,12H2,1H3
InChIKeyARHOTCZZKZTLFS-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
3-[(3-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 64722014
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamine
CID 62766081
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]pentan-1-amine
CID 55112787
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
3-fluoro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]aniline
CID 63517278
4-chloro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]aniline
CID 63516800
(3R)-1-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 99970102

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine (CID 55112789) is N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine is Cc1cccc(CSCCNC2CCCC2)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine?
The InChIKey is ARHOTCZZKZTLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-13-5-4-6-14(11-13)12-17-10-9-16-15-7-2-3-8-15/h4-6,11,15-16H,2-3,7-10,12H2,1H3.
What are the key properties of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine?
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine has a molecular weight of 249.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine is sourced from PubChem (CID 55112789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).