[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol

C15H27N3OS — CID 79581049

IUPAC[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCSc1nccn1C
InChIInChI=1S/C15H27N3OS/c1-3-8-17-15(12-19)7-4-5-13(15)6-11-20-14-16-9-10-18(14)2/h9-10,13,17,19H,3-8,11-12H2,1-2H3
InChIKeyGRPGRQCTSWNUGP-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.43
Rot. Bonds8

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

[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79581049) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID79581049
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCCC1CCSc1nccn1C
InChIInChI=1S/C15H27N3OS/c1-3-8-17-15(12-19)7-4-5-13(15)6-11-20-14-16-9-10-18(14)2/h9-10,13,17,19H,3-8,11-12H2,1-2H3
InChIKeyGRPGRQCTSWNUGP-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79586391
[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581796
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79587174
[2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 104968989
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
CID 79580959
1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576943
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79582029
[2-(2-propoxyethyl)-1-(propylamino)cyclopentyl]methanol
CID 79581095
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[1-(ethylamino)-2-(2-imidazol-1-ylethyl)cyclopentyl]methanol
CID 79571967
[2-[2-(3-methylbutoxy)ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581996
[2-[2-[methyl(2-methylpropyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571507

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol (CID 79581049) is [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCCC1CCSc1nccn1C.
What is the InChIKey of [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is GRPGRQCTSWNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-8-17-15(12-19)7-4-5-13(15)6-11-20-14-16-9-10-18(14)2/h9-10,13,17,19H,3-8,11-12H2,1-2H3.
What are the key properties of [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol?
[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 297.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).