[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol

C13H27NOS — CID 79582041

IUPAC[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCSCCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C13H27NOS/c1-4-16-9-7-12-6-5-8-13(12,10-15)14-11(2)3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyDXCHMSWVFWQUKS-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.66
Rot. Bonds7

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

[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79582041) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79582041
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCSCCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C13H27NOS/c1-4-16-9-7-12-6-5-8-13(12,10-15)14-11(2)3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyDXCHMSWVFWQUKS-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methoxyethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79581006
[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
CID 107764649
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[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-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987
[2-[2-[methyl(2-methylbutyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571377
[2-[2-[cyclopentyl(ethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79566933
[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-(3-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587314
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79582042

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79582041) is [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol is CCSCCC1CCCC1(CO)NC(C)C.
What is the InChIKey of [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is DXCHMSWVFWQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-16-9-7-12-6-5-8-13(12,10-15)14-11(2)3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 245.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79582041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).