[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol

C17H27NOS — CID 79581557

IUPAC[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
SMILESCC(C)c1ccc(SCCC2CCCC2(N)CO)cc1
InChIInChI=1S/C17H27NOS/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,18)12-19/h5-8,13,15,19H,3-4,9-12,18H2,1-2H3
InChIKeyRDZUTGWXGLEPKF-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.78
Rot. Bonds6

About [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol

[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol (PubChem CID 79581557) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
PubChem CID79581557
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
SMILESCC(C)c1ccc(SCCC2CCCC2(N)CO)cc1
InChIInChI=1S/C17H27NOS/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,18)12-19/h5-8,13,15,19H,3-4,9-12,18H2,1-2H3
InChIKeyRDZUTGWXGLEPKF-UHFFFAOYSA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol
CID 79587572
[1-amino-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581199
[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
[1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 114792963
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581722
[1-amino-2-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]cyclopentyl]methanol
CID 79581805
[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
CID 79587309
methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
[1-amino-2-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentyl]methanol
CID 79582101
[2-[2-(4-chlorophenyl)sulfanylethyl]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79587344
2-[2-(4-chlorophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79588248

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol (CID 79581557) is [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol is CC(C)c1ccc(SCCC2CCCC2(N)CO)cc1.
What is the InChIKey of [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol?
The InChIKey is RDZUTGWXGLEPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,18)12-19/h5-8,13,15,19H,3-4,9-12,18H2,1-2H3.
What are the key properties of [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol?
[1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol has a molecular weight of 293.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).