4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one

C12H18N2OS — CID 60937933

IUPAC4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C12H18N2OS/c13-7-1-6-12(15)14-8-2-4-10(14)11-5-3-9-16-11/h3,5,9-10H,1-2,4,6-8,13H2
InChIKeyGLWPVYDOGCTUGA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.15
Rot. Bonds4

About 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one

4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 60937933) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
PubChem CID60937933
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C12H18N2OS/c13-7-1-6-12(15)14-8-2-4-10(14)11-5-3-9-16-11/h3,5,9-10H,1-2,4,6-8,13H2
InChIKeyGLWPVYDOGCTUGA-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 66219547
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
4-(2-bromophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 55738710
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
2-[(2-methylpropan-2-yl)oxy]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 112604716
2-(2-aminophenoxy)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 61027407
4-(1H-indol-3-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butan-1-one
CID 8010073
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
5-bromo-2-[4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butyl]isoindole-1,3-dione
CID 55377124

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one (CID 60937933) is 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one is NCCCC(=O)N1CCCC1c1cccs1.
What is the InChIKey of 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is GLWPVYDOGCTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-7-1-6-12(15)14-8-2-4-10(14)11-5-3-9-16-11/h3,5,9-10H,1-2,4,6-8,13H2.
What are the key properties of 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one?
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 238.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 60937933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).