[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol

C15H25NOS2 — CID 79581651

IUPAC[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCCC1CCSc1cccs1
InChIInChI=1S/C15H25NOS2/c1-12(2)16-15(11-17)8-3-5-13(15)7-10-19-14-6-4-9-18-14/h4,6,9,12-13,16-17H,3,5,7-8,10-11H2,1-2H3
InChIKeyHZGBRBGSVIGSOF-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.76
Rot. Bonds7

About [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol

[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol (PubChem CID 79581651) has the molecular formula C15H25NOS2 and a molecular weight of 299.50 g/mol. Its IUPAC name is [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
PubChem CID79581651
Molecular FormulaC15H25NOS2
Molecular Weight299.50 g/mol
Exact Mass299.14
IUPAC Name[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCCC1CCSc1cccs1
InChIInChI=1S/C15H25NOS2/c1-12(2)16-15(11-17)8-3-5-13(15)7-10-19-14-6-4-9-18-14/h4,6,9,12-13,16-17H,3,5,7-8,10-11H2,1-2H3
InChIKeyHZGBRBGSVIGSOF-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587304
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[2-[2-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314
methyl 1-amino-2-(2-thiophen-2-ylsulfanylethyl)cyclopentane-1-carboxylate
CID 79587263
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041
[1-(propan-2-ylamino)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclopentyl]methanol
CID 79581950
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
CID 79640772
[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79582100
[2-[2-(2-fluorophenyl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79587174
2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573302

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol (CID 79581651) is [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol is CC(C)NC1(CO)CCCC1CCSc1cccs1.
What is the InChIKey of [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol?
The InChIKey is HZGBRBGSVIGSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS2/c1-12(2)16-15(11-17)8-3-5-13(15)7-10-19-14-6-4-9-18-14/h4,6,9,12-13,16-17H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol?
[1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol has a molecular weight of 299.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)-2-(2-thiophen-2-ylsulfanylethyl)cyclopentyl]methanol is sourced from PubChem (CID 79581651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).