2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

C16H24N2OS — CID 64683625

IUPAC2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(C)NC(=O)CC2(N)CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-12(13-5-7-14(20-2)8-6-13)18-15(19)11-16(17)9-3-4-10-16/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyAQILXEJLLIUEEH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.25
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 64683625) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID64683625
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(C)NC(=O)CC2(N)CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-12(13-5-7-14(20-2)8-6-13)18-15(19)11-16(17)9-3-4-10-16/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyAQILXEJLLIUEEH-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81363183
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
2-(1-aminocyclopentyl)-N-(1-thiophen-3-ylethyl)acetamide
CID 64679741
2-(1-aminocyclobutyl)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79854549
2-(1-aminocyclopentyl)-N-[1-(2,6-difluorophenyl)ethyl]acetamide
CID 64684072
2-(1-aminocyclobutyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 79843533
2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
2-(1-aminocyclohexyl)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 64684603
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 64683625) is 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(C)NC(=O)CC2(N)CCCC2)cc1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is AQILXEJLLIUEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(13-5-7-14(20-2)8-6-13)18-15(19)11-16(17)9-3-4-10-16/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 64683625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).