[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol

C15H22ClNOS — CID 79582100

IUPAC[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNOS/c1-17-15(11-18)8-3-4-12(15)7-9-19-14-6-2-5-13(16)10-14/h2,5-6,10,12,17-18H,3-4,7-9,11H2,1H3
InChIKeyIXHWKXCCOKRRTL-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.57
Rot. Bonds6

About [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79582100) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79582100
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNOS/c1-17-15(11-18)8-3-4-12(15)7-9-19-14-6-2-5-13(16)10-14/h2,5-6,10,12,17-18H,3-4,7-9,11H2,1H3
InChIKeyIXHWKXCCOKRRTL-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol with MolForge

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Related Compounds

[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581103
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587344
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[1-(ethylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581411
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79582029
[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571424
[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581651
[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581372
[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
CID 107764649
methyl 2-[2-(3-bromophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79555805

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol (CID 79582100) is [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCSc1cccc(Cl)c1.
What is the InChIKey of [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is IXHWKXCCOKRRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-17-15(11-18)8-3-4-12(15)7-9-19-14-6-2-5-13(16)10-14/h2,5-6,10,12,17-18H,3-4,7-9,11H2,1H3.
What are the key properties of [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 299.87 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79582100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).