[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol

C18H27NOS — CID 79587166

IUPAC[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCSCc1ccccc1
InChIInChI=1S/C18H27NOS/c20-14-18(19-17-8-9-17)11-4-7-16(18)10-12-21-13-15-5-2-1-3-6-15/h1-3,5-6,16-17,19-20H,4,7-14H2
InChIKeyFQCOEIRKCHMSBD-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.59
Rot. Bonds8

About [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol

[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol (PubChem CID 79587166) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol
PubChem CID79587166
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCCC1CCSCc1ccccc1
InChIInChI=1S/C18H27NOS/c20-14-18(19-17-8-9-17)11-4-7-16(18)10-12-21-13-15-5-2-1-3-6-15/h1-3,5-6,16-17,19-20H,4,7-14H2
InChIKeyFQCOEIRKCHMSBD-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclopropylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581483
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587344
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 114792963
[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 79582101
[1-(cyclopropylamino)-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 79571439
[1-(cyclopropylamino)-2-[2-[cyclopropyl(propyl)amino]ethyl]cyclopentyl]methanol
CID 79571729
[2-[2-(2-methylphenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587304
[1-(cyclopropylamino)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79568172
[2-[2-(2-chlorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587180
[1-(methylamino)-2-[2-[methyl(2-phenylethyl)amino]ethyl]cyclopentyl]methanol
CID 79567364
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041
4-benzylsulfanyl-2-(cyclopropylamino)butan-1-ol
CID 64808012

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol (CID 79587166) is [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol is OCC1(NC2CC2)CCCC1CCSCc1ccccc1.
What is the InChIKey of [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol?
The InChIKey is FQCOEIRKCHMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c20-14-18(19-17-8-9-17)11-4-7-16(18)10-12-21-13-15-5-2-1-3-6-15/h1-3,5-6,16-17,19-20H,4,7-14H2.
What are the key properties of [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol?
[2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol has a molecular weight of 305.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylsulfanylethyl)-1-(cyclopropylamino)cyclopentyl]methanol is sourced from PubChem (CID 79587166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).