[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol

C17H33NOS — CID 79580959

IUPAC[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCSC1CCCCC1
InChIInChI=1S/C17H33NOS/c1-2-12-18-17(14-19)11-6-7-15(17)10-13-20-16-8-4-3-5-9-16/h15-16,18-19H,2-14H2,1H3
InChIKeyMQIPJGXVIXCSHB-UHFFFAOYSA-N
MW299.52 g/mol
LogP3.97
Rot. Bonds8

About [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol

[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79580959) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
PubChem CID79580959
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCSC1CCCCC1
InChIInChI=1S/C17H33NOS/c1-2-12-18-17(14-19)11-6-7-15(17)10-13-20-16-8-4-3-5-9-16/h15-16,18-19H,2-14H2,1H3
InChIKeyMQIPJGXVIXCSHB-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 104968989
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79587174
[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581049
[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581996
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79567623
[2-[2-[methyl(oxan-4-yl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79568301
[2-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79570962
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79582042
[1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
CID 79580965

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol (CID 79580959) is [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCSC1CCCCC1.
What is the InChIKey of [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is MQIPJGXVIXCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c1-2-12-18-17(14-19)11-6-7-15(17)10-13-20-16-8-4-3-5-9-16/h15-16,18-19H,2-14H2,1H3.
What are the key properties of [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol?
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 299.52 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).