3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C15H24N2OS — CID 61333174

IUPAC3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ccc(C(C)NCCC(=O)N2CCCC2)s1
InChIInChI=1S/C15H24N2OS/c1-3-13-6-7-14(19-13)12(2)16-9-8-15(18)17-10-4-5-11-17/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyTWYHSRALPNVVQM-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.97
Rot. Bonds6

About 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 61333174) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID61333174
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1ccc(C(C)NCCC(=O)N2CCCC2)s1
InChIInChI=1S/C15H24N2OS/c1-3-13-6-7-14(19-13)12(2)16-9-8-15(18)17-10-4-5-11-17/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyTWYHSRALPNVVQM-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
1-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 94576074
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 61335545

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 61333174) is 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is CCc1ccc(C(C)NCCC(=O)N2CCCC2)s1.
What is the InChIKey of 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TWYHSRALPNVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-13-6-7-14(19-13)12(2)16-9-8-15(18)17-10-4-5-11-17/h6-7,12,16H,3-5,8-11H2,1-2H3.
What are the key properties of 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 280.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 61333174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).