1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol

C17H27NOS — CID 79587572

IUPAC1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol
SMILESCC(C)c1ccc(SCCC2CCCC2(O)CN)cc1
InChIInChI=1S/C17H27NOS/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,19)12-18/h5-8,13,15,19H,3-4,9-12,18H2,1-2H3
InChIKeyQEYNTDPXPYGSMX-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.78
Rot. Bonds6

About 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol (PubChem CID 79587572) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol
PubChem CID79587572
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol
SMILESCC(C)c1ccc(SCCC2CCCC2(O)CN)cc1
InChIInChI=1S/C17H27NOS/c1-13(2)14-5-7-16(8-6-14)20-11-9-15-4-3-10-17(15,19)12-18/h5-8,13,15,19H,3-4,9-12,18H2,1-2H3
InChIKeyQEYNTDPXPYGSMX-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-amino-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentyl]methanol
CID 79581557
1-(aminomethyl)-2-[2-(2,4-difluorophenyl)sulfanylethyl]cyclopentan-1-ol
CID 79587574
1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
CID 79587898
[2-[2-(4-fluorophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79587185
1-(aminomethyl)-2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587994
1-(aminomethyl)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 79586964
1-(aminomethyl)-2-[2-(3,5-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79587895
1-(aminomethyl)-2-[2-(2,4-dimethylphenoxy)ethyl]cyclopentan-1-ol
CID 79586548
2-[2-(4-chlorophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79588248
methyl 1-amino-2-[2-(4-methoxyphenyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79588025
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
1-(aminomethyl)-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopentan-1-ol
CID 79587968

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol (CID 79587572) is 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol is CC(C)c1ccc(SCCC2CCCC2(O)CN)cc1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol?
The InChIKey is QEYNTDPXPYGSMX-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(15,19)12-18/h5-8,13,15,19H,3-4,9-12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol 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-(aminomethyl)-2-[2-(4-propan-2-ylphenyl)sulfanylethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).