3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one

C15H18N2OS — CID 82516614

IUPAC3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one
SMILESNCc1ccc(-c2cccs2)n(C2CCCC2)c1=O
InChIInChI=1S/C15H18N2OS/c16-10-11-7-8-13(14-6-3-9-19-14)17(15(11)18)12-4-1-2-5-12/h3,6-9,12H,1-2,4-5,10,16H2
InChIKeyPEIGKGKKXSWTAC-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.15
Rot. Bonds3

About 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one

3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516614) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one
PubChem CID82516614
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one
SMILESNCc1ccc(-c2cccs2)n(C2CCCC2)c1=O
InChIInChI=1S/C15H18N2OS/c16-10-11-7-8-13(14-6-3-9-19-14)17(15(11)18)12-4-1-2-5-12/h3,6-9,12H,1-2,4-5,10,16H2
InChIKeyPEIGKGKKXSWTAC-UHFFFAOYSA-N
XLogP3.15
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
CID 82516756
3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
CID 82516740
3-(aminomethyl)-1-cyclopentyl-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82189364
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
CID 82189037
1-(oxolan-2-ylmethyl)-3-(sulfanylmethyl)-6-thiophen-2-ylpyridin-2-one
CID 82516545
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
3-(aminomethyl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82189071
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583044
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23792013

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one (CID 82516614) is 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one is NCc1ccc(-c2cccs2)n(C2CCCC2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one?
The InChIKey is PEIGKGKKXSWTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-10-11-7-8-13(14-6-3-9-19-14)17(15(11)18)12-4-1-2-5-12/h3,6-9,12H,1-2,4-5,10,16H2.
What are the key properties of 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one?
3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one has a molecular weight of 274.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopentyl-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).