1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one

C12H17NOS — CID 116570036

IUPAC1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCC1(C(=O)CCc2ccsc2)CCNC1
InChIInChI=1S/C12H17NOS/c1-12(5-6-13-9-12)11(14)3-2-10-4-7-15-8-10/h4,7-8,13H,2-3,5-6,9H2,1H3
InChIKeyJYNVDWNMVIEUSW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one

1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 116570036) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID116570036
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCC1(C(=O)CCc2ccsc2)CCNC1
InChIInChI=1S/C12H17NOS/c1-12(5-6-13-9-12)11(14)3-2-10-4-7-15-8-10/h4,7-8,13H,2-3,5-6,9H2,1H3
InChIKeyJYNVDWNMVIEUSW-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-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 114972116
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 55165151
1-(1-aminocyclopentyl)-3-thiophen-3-ylpropan-1-one
CID 116558832
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63122301
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(3-methylpyrrolidin-3-yl)-3-methylsulfonylpropan-1-one
CID 116570102

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one (CID 116570036) is 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one is CC1(C(=O)CCc2ccsc2)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is JYNVDWNMVIEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(5-6-13-9-12)11(14)3-2-10-4-7-15-8-10/h4,7-8,13H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
1-(3-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one 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-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116570036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).