1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

C15H16N2OS — CID 71801548

IUPAC1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2ccccn2)C1
InChIInChI=1S/C15H16N2OS/c18-15(10-13-4-3-9-19-13)17-8-6-12(11-17)14-5-1-2-7-16-14/h1-5,7,9,12H,6,8,10-11H2
InChIKeyHUIVSXFAWRMQQL-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.70
Rot. Bonds3

About 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 71801548) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID71801548
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2ccccn2)C1
InChIInChI=1S/C15H16N2OS/c18-15(10-13-4-3-9-19-13)17-8-6-12(11-17)14-5-1-2-7-16-14/h1-5,7,9,12H,6,8,10-11H2
InChIKeyHUIVSXFAWRMQQL-UHFFFAOYSA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124975903
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 87051841
1-(3-pyridin-2-yloxyazetidin-1-yl)-2-thiophen-2-ylethanone
CID 122247181
1-(2-thiophen-2-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918355
1-[(3R)-3-[2-(2-methylanilino)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95094487
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92571713
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone (CID 71801548) is 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(c2ccccn2)C1.
What is the InChIKey of 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is HUIVSXFAWRMQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(10-13-4-3-9-19-13)17-8-6-12(11-17)14-5-1-2-7-16-14/h1-5,7,9,12H,6,8,10-11H2.
What are the key properties of 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 272.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 71801548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).