2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine

C16H24ClNS — CID 103291093

IUPAC2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCSCc1ccccc1Cl
InChIInChI=1S/C16H24ClNS/c1-2-18-16-9-5-7-13(16)10-11-19-12-14-6-3-4-8-15(14)17/h3-4,6,8,13,16,18H,2,5,7,9-12H2,1H3
InChIKeyHIIWCWOQNJFFQK-UHFFFAOYSA-N
MW297.89 g/mol
LogP4.74
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine

2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine (PubChem CID 103291093) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine
PubChem CID103291093
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCSCc1ccccc1Cl
InChIInChI=1S/C16H24ClNS/c1-2-18-16-9-5-7-13(16)10-11-19-12-14-6-3-4-8-15(14)17/h3-4,6,8,13,16,18H,2,5,7,9-12H2,1H3
InChIKeyHIIWCWOQNJFFQK-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 54.74
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

2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103290168
N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79577184
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine
CID 79576525
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
CID 107307078
N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
CID 79577784
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577668
2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587196
1-amino-2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 103289705
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine (CID 103291093) is 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CCSCc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine?
The InChIKey is HIIWCWOQNJFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-2-18-16-9-5-7-13(16)10-11-19-12-14-6-3-4-8-15(14)17/h3-4,6,8,13,16,18H,2,5,7,9-12H2,1H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine?
2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine has a molecular weight of 297.89 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 103291093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).