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

C11H15NOS — CID 116680782

IUPAC3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
SMILESCC(C(=O)Cc1ccsc1)C1CNC1
InChIInChI=1S/C11H15NOS/c1-8(10-5-12-6-10)11(13)4-9-2-3-14-7-9/h2-3,7-8,10,12H,4-6H2,1H3
InChIKeyWURZVARBALESMK-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.72
Rot. Bonds4

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

3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one (PubChem CID 116680782) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one.

Molecular Properties

Compound Name3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
PubChem CID116680782
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
SMILESCC(C(=O)Cc1ccsc1)C1CNC1
InChIInChI=1S/C11H15NOS/c1-8(10-5-12-6-10)11(13)4-9-2-3-14-7-9/h2-3,7-8,10,12H,4-6H2,1H3
InChIKeyWURZVARBALESMK-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-3-yl)-1-(3,5-dimethylphenyl)butan-2-one
CID 116680636
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-thiophen-3-ylethanone
CID 66212657
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
3-(azetidin-3-yl)-1-(2-chloro-5-fluorophenyl)butan-2-one
CID 102622242

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one?
The IUPAC name of 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one (CID 116680782) is 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one.
What is the SMILES notation for 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one?
The canonical SMILES for 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one is CC(C(=O)Cc1ccsc1)C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one?
The InChIKey is WURZVARBALESMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(10-5-12-6-10)11(13)4-9-2-3-14-7-9/h2-3,7-8,10,12H,4-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one?
3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one has a molecular weight of 209.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one is sourced from PubChem (CID 116680782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).