1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one

C12H17NOS — CID 116572594

IUPAC1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCC1CNCC1C(=O)CCc1ccsc1
InChIInChI=1S/C12H17NOS/c1-9-6-13-7-11(9)12(14)3-2-10-4-5-15-8-10/h4-5,8-9,11,13H,2-3,6-7H2,1H3
InChIKeyYBQPQILBJJDLCB-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.11
Rot. Bonds4

About 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one

1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 116572594) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID116572594
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
SMILESCC1CNCC1C(=O)CCc1ccsc1
InChIInChI=1S/C12H17NOS/c1-9-6-13-7-11(9)12(14)3-2-10-4-5-15-8-10/h4-5,8-9,11,13H,2-3,6-7H2,1H3
InChIKeyYBQPQILBJJDLCB-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
1-(4,4-dimethylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65390404
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
3-(2-thiophen-3-ylethyl)azetidine
CID 79451396
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
1-(1,3-dioxolan-2-yl)-4-thiophen-3-ylbutan-2-one
CID 103543685

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one (CID 116572594) is 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one is CC1CNCC1C(=O)CCc1ccsc1.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is YBQPQILBJJDLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-13-7-11(9)12(14)3-2-10-4-5-15-8-10/h4-5,8-9,11,13H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one?
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 223.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116572594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).