[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C18H29NOS — CID 79587314

IUPAC[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCc1cccc(SCCC2CCCC2(CO)NC(C)C)c1
InChIInChI=1S/C18H29NOS/c1-14(2)19-18(13-20)10-5-7-16(18)9-11-21-17-8-4-6-15(3)12-17/h4,6,8,12,14,16,19-20H,5,7,9-11,13H2,1-3H3
InChIKeyYBDUAMIQRUCUAI-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.01
Rot. Bonds7

About [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79587314) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79587314
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCc1cccc(SCCC2CCCC2(CO)NC(C)C)c1
InChIInChI=1S/C18H29NOS/c1-14(2)19-18(13-20)10-5-7-16(18)9-11-21-17-8-4-6-15(3)12-17/h4,6,8,12,14,16,19-20H,5,7,9-11,13H2,1-3H3
InChIKeyYBDUAMIQRUCUAI-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(2-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587304
[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79582100
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581651
[1-(propan-2-ylamino)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclopentyl]methanol
CID 79581950
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041
[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
2-(2-phenylsulfanylethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575836
[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571424
[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581103
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587344
[1-(ethylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581411

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79587314) is [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is Cc1cccc(SCCC2CCCC2(CO)NC(C)C)c1.
What is the InChIKey of [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is YBDUAMIQRUCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-14(2)19-18(13-20)10-5-7-16(18)9-11-21-17-8-4-6-15(3)12-17/h4,6,8,12,14,16,19-20H,5,7,9-11,13H2,1-3H3.
What are the key properties of [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 307.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79587314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).