2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide

C16H24N2OS — CID 65446178

IUPAC2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
SMILESCOc1ccc(CCN(CC(N)=S)C2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-19-15-8-6-13(7-9-15)10-11-18(12-16(17)20)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H2,17,20)
InChIKeyKUEVESDELOEVOC-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds7

About 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide

2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide (PubChem CID 65446178) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
PubChem CID65446178
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
SMILESCOc1ccc(CCN(CC(N)=S)C2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-19-15-8-6-13(7-9-15)10-11-18(12-16(17)20)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H2,17,20)
InChIKeyKUEVESDELOEVOC-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 102874850
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
CID 103002660
N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 143482708
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide (CID 65446178) is 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide is COc1ccc(CCN(CC(N)=S)C2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide?
The InChIKey is KUEVESDELOEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-19-15-8-6-13(7-9-15)10-11-18(12-16(17)20)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3,(H2,17,20).
What are the key properties of 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide?
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide has a molecular weight of 292.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide is sourced from PubChem (CID 65446178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).