[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

C15H22ClNOS — CID 79645559

IUPAC[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(Sc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNOS/c1-11(2)17-15(10-18)8-7-12(9-15)19-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyYSTANUKGJFCLQA-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.71
Rot. Bonds5

About [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79645559) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79645559
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(Sc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNOS/c1-11(2)17-15(10-18)8-7-12(9-15)19-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3
InChIKeyYSTANUKGJFCLQA-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79645308
[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646579
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
CID 79640772
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79647837
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645806
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638793
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
CID 79640217
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313
(2-chlorophenyl)sulfanylcyclooctane
CID 122214849

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79645559) is [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCC(Sc2ccccc2Cl)C1.
What is the InChIKey of [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is YSTANUKGJFCLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-11(2)17-15(10-18)8-7-12(9-15)19-14-6-4-3-5-13(14)16/h3-6,11-12,17-18H,7-10H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 299.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).