[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol

C17H26FNOS — CID 79587174

IUPAC[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCSc1ccccc1F
InChIInChI=1S/C17H26FNOS/c1-2-11-19-17(13-20)10-5-6-14(17)9-12-21-16-8-4-3-7-15(16)18/h3-4,7-8,14,19-20H,2,5-6,9-13H2,1H3
InChIKeyQQXSVWKOBRDMBH-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.84
Rot. Bonds8

About [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol

[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79587174) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID79587174
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCSc1ccccc1F
InChIInChI=1S/C17H26FNOS/c1-2-11-19-17(13-20)10-5-6-14(17)9-12-21-16-8-4-3-7-15(16)18/h3-4,7-8,14,19-20H,2,5-6,9-13H2,1H3
InChIKeyQQXSVWKOBRDMBH-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[2-[2-(2-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587304
[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581049
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
CID 79580959
[1-(ethylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581411
[2-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79581103
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 104968989
1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79578023
1-(cyclopropylamino)-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79577380
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol (CID 79587174) is [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCSc1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is QQXSVWKOBRDMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-2-11-19-17(13-20)10-5-6-14(17)9-12-21-16-8-4-3-7-15(16)18/h3-4,7-8,14,19-20H,2,5-6,9-13H2,1H3.
What are the key properties of [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 311.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79587174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).