3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide

C13H19ClN2OS — CID 66008961

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1CCC(N)C1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(8-11-5-6-12(14)18-11)13(17)9-3-4-10(15)7-9/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyUCOCDBQMCBRMSR-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.88
Rot. Bonds4

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide (PubChem CID 66008961) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
PubChem CID66008961
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1CCC(N)C1
InChIInChI=1S/C13H19ClN2OS/c1-2-16(8-11-5-6-12(14)18-11)13(17)9-3-4-10(15)7-9/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeyUCOCDBQMCBRMSR-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713
N-[(5-chlorothiophen-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-ethylpiperidine-3-carboxamide
CID 55683478
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545
cis-(1R,3S)-3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide
CID 133112044
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655711

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide (CID 66008961) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide?
The InChIKey is UCOCDBQMCBRMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-16(8-11-5-6-12(14)18-11)13(17)9-3-4-10(15)7-9/h5-6,9-10H,2-4,7-8,15H2,1H3.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 66008961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).