1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone

C13H20N2OS — CID 54964322

IUPAC1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
SMILESCCC(NCC(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-2-11(12-6-5-9-17-12)14-10-13(16)15-7-3-4-8-15/h5-6,9,11,14H,2-4,7-8,10H2,1H3
InChIKeyAEHFDUQMYCHNOA-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.41
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone

1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone (PubChem CID 54964322) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
PubChem CID54964322
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
SMILESCCC(NCC(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-2-11(12-6-5-9-17-12)14-10-13(16)15-7-3-4-8-15/h5-6,9,11,14H,2-4,7-8,10H2,1H3
InChIKeyAEHFDUQMYCHNOA-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
1-(4-methylpiperazin-1-yl)-2-(1-phenylpropylamino)ethanone
CID 62304031

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone (CID 54964322) is 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone is CCC(NCC(=O)N1CCCC1)c1cccs1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone?
The InChIKey is AEHFDUQMYCHNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-11(12-6-5-9-17-12)14-10-13(16)15-7-3-4-8-15/h5-6,9,11,14H,2-4,7-8,10H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone?
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone is sourced from PubChem (CID 54964322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).