2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

C15H22N2OS — CID 115287116

IUPAC2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCCC1C1CCCC1)c1cccs1
InChIInChI=1S/C15H22N2OS/c16-14(13-8-4-10-19-13)15(18)17-9-3-7-12(17)11-5-1-2-6-11/h4,8,10-12,14H,1-3,5-7,9,16H2
InChIKeyFIHVTXXUNUJBNA-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 115287116) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID115287116
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)N1CCCC1C1CCCC1)c1cccs1
InChIInChI=1S/C15H22N2OS/c16-14(13-8-4-10-19-13)15(18)17-9-3-7-12(17)11-5-1-2-6-11/h4,8,10-12,14H,1-3,5-7,9,16H2
InChIKeyFIHVTXXUNUJBNA-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
CID 115286566
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630
2-(2-amino-2-thiophen-2-ylacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895715
2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115286096
methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
CID 115286826
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106312449
2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115286722
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119300932
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone (CID 115287116) is 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone is NC(C(=O)N1CCCC1C1CCCC1)c1cccs1.
What is the InChIKey of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is FIHVTXXUNUJBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-14(13-8-4-10-19-13)15(18)17-9-3-7-12(17)11-5-1-2-6-11/h4,8,10-12,14H,1-3,5-7,9,16H2.
What are the key properties of 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone?
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 278.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 115287116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).