2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide

C16H24N2OS — CID 43290625

IUPAC2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCN(CCOc1ccc(CC(N)=S)cc1)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-18(14-4-2-3-5-14)10-11-19-15-8-6-13(7-9-15)12-16(17)20/h6-9,14H,2-5,10-12H2,1H3,(H2,17,20)
InChIKeyJBWBJEAJIIVBSX-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds7

About 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide

2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide (PubChem CID 43290625) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
PubChem CID43290625
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
SMILESCN(CCOc1ccc(CC(N)=S)cc1)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-18(14-4-2-3-5-14)10-11-19-15-8-6-13(7-9-15)12-16(17)20/h6-9,14H,2-5,10-12H2,1H3,(H2,17,20)
InChIKeyJBWBJEAJIIVBSX-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-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
2-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290677
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
2-[4-[2-[butyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290319
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide (CID 43290625) is 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide is CN(CCOc1ccc(CC(N)=S)cc1)C1CCCC1.
What is the InChIKey of 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
The InChIKey is JBWBJEAJIIVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(14-4-2-3-5-14)10-11-19-15-8-6-13(7-9-15)12-16(17)20/h6-9,14H,2-5,10-12H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide?
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]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-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide is sourced from PubChem (CID 43290625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).