1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone

C12H17NOS — CID 116570374

IUPAC1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
SMILESCCC1(C(=O)Cc2ccsc2)CCNC1
InChIInChI=1S/C12H17NOS/c1-2-12(4-5-13-9-12)11(14)7-10-3-6-15-8-10/h3,6,8,13H,2,4-5,7,9H2,1H3
InChIKeyKRWRLLCKTDCKBU-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone

1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone (PubChem CID 116570374) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
PubChem CID116570374
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
SMILESCCC1(C(=O)Cc2ccsc2)CCNC1
InChIInChI=1S/C12H17NOS/c1-2-12(4-5-13-9-12)11(14)7-10-3-6-15-8-10/h3,6,8,13H,2,4-5,7,9H2,1H3
InChIKeyKRWRLLCKTDCKBU-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659
3-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 55165732
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116570036
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570281
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone (CID 116570374) is 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone is CCC1(C(=O)Cc2ccsc2)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is KRWRLLCKTDCKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-12(4-5-13-9-12)11(14)7-10-3-6-15-8-10/h3,6,8,13H,2,4-5,7,9H2,1H3.
What are the key properties of 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone?
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 223.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116570374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).