N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide

C13H19ClN2OS — CID 166305707

IUPACN-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide
SMILESNCCC1CCC(NC(=O)Cc2ccsc2Cl)C1
InChIInChI=1S/C13H19ClN2OS/c14-13-10(4-6-18-13)8-12(17)16-11-2-1-9(7-11)3-5-15/h4,6,9,11H,1-3,5,7-8,15H2,(H,16,17)
InChIKeyVVAPULKZAWTJNN-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.58
Rot. Bonds5

About N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide

N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide (PubChem CID 166305707) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide
PubChem CID166305707
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide
SMILESNCCC1CCC(NC(=O)Cc2ccsc2Cl)C1
InChIInChI=1S/C13H19ClN2OS/c14-13-10(4-6-18-13)8-12(17)16-11-2-1-9(7-11)3-5-15/h4,6,9,11H,1-3,5,7-8,15H2,(H,16,17)
InChIKeyVVAPULKZAWTJNN-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethyl)cyclopentyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 166276884
N-[3-(2-aminoethyl)cyclopentyl]-2-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 154871382
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
2-(2,6-dichlorophenyl)-N-(4-ethylcyclohexyl)acetamide
CID 22076137
2-(2-chlorothiophen-3-yl)-1-cyclohexylethanone
CID 164651092
1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
CID 82508319

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide?
The IUPAC name of N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide (CID 166305707) is N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide?
The canonical SMILES for N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide is NCCC1CCC(NC(=O)Cc2ccsc2Cl)C1.
What is the InChIKey of N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide?
The InChIKey is VVAPULKZAWTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c14-13-10(4-6-18-13)8-12(17)16-11-2-1-9(7-11)3-5-15/h4,6,9,11H,1-3,5,7-8,15H2,(H,16,17).
What are the key properties of N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide?
N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide has a molecular weight of 286.83 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)cyclopentyl]-2-(2-chlorothiophen-3-yl)acetamide is sourced from PubChem (CID 166305707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).