1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one

C10H13NOS — CID 116582371

IUPAC1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CC1CNC1
InChIInChI=1S/C10H13NOS/c12-10(4-9-5-11-6-9)3-8-1-2-13-7-8/h1-2,7,9,11H,3-6H2
InChIKeyZROAIEXYXCHJPL-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.47
Rot. Bonds4

About 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one

1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one (PubChem CID 116582371) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
PubChem CID116582371
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CC1CNC1
InChIInChI=1S/C10H13NOS/c12-10(4-9-5-11-6-9)3-8-1-2-13-7-8/h1-2,7,9,11H,3-6H2
InChIKeyZROAIEXYXCHJPL-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-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-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
2-(azetidin-3-yl)-1-thiophen-3-ylethanone
CID 116582227
3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
CID 116680782
3-(2-thiophen-3-ylethyl)azetidine
CID 79451396
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574
1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 116582373
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-thiophen-3-ylethanone
CID 66212657
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one (CID 116582371) is 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is ZROAIEXYXCHJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-10(4-9-5-11-6-9)3-8-1-2-13-7-8/h1-2,7,9,11H,3-6H2.
What are the key properties of 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one?
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 195.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 116582371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).