[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol

C15H22ClNOS — CID 79646307

IUPAC[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNOS/c1-2-8-17-15(11-18)7-6-14(10-15)19-13-5-3-4-12(16)9-13/h3-5,9,14,17-18H,2,6-8,10-11H2,1H3
InChIKeyXZVPJXXUVMNKOF-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.72
Rot. Bonds6

About [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol

[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol (PubChem CID 79646307) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
PubChem CID79646307
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNOS/c1-2-8-17-15(11-18)7-6-14(10-15)19-13-5-3-4-12(16)9-13/h3-5,9,14,17-18H,2,6-8,10-11H2,1H3
InChIKeyXZVPJXXUVMNKOF-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79644568
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604
[3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79645308
[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
CID 79647829
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640590
methyl 3-phenylsulfanyl-1-(propylamino)cyclopentane-1-carboxylate
CID 79653522
[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 107764868

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol (CID 79646307) is [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(Sc2cccc(Cl)c2)C1.
What is the InChIKey of [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
The InChIKey is XZVPJXXUVMNKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-2-8-17-15(11-18)7-6-14(10-15)19-13-5-3-4-12(16)9-13/h3-5,9,14,17-18H,2,6-8,10-11H2,1H3.
What are the key properties of [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol has a molecular weight of 299.87 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79646307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).