2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine

C16H24ClNS — CID 79577668

IUPAC2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNS/c1-2-10-18-16-8-3-5-13(16)9-11-19-15-7-4-6-14(17)12-15/h4,6-7,12-13,16,18H,2-3,5,8-11H2,1H3
InChIKeyHHUVHMLBDGNOEI-UHFFFAOYSA-N
MW297.89 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine

2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine (PubChem CID 79577668) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
PubChem CID79577668
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNS/c1-2-10-18-16-8-3-5-13(16)9-11-19-15-7-4-6-14(17)12-15/h4,6-7,12-13,16,18H,2-3,5,8-11H2,1H3
InChIKeyHHUVHMLBDGNOEI-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577348
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
2-[2-(4-nitrophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79576656
N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79577184
N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 79576785
N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine
CID 79576525
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79577014
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
CID 79576187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine (CID 79577668) is 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCSc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
The InChIKey is HHUVHMLBDGNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNS/c1-2-10-18-16-8-3-5-13(16)9-11-19-15-7-4-6-14(17)12-15/h4,6-7,12-13,16,18H,2-3,5,8-11H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine has a molecular weight of 297.89 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79577668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).