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

C9H11NOS — CID 116583807

IUPAC1-(azetidin-3-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)C1CNC1
InChIInChI=1S/C9H11NOS/c11-9(8-4-10-5-8)3-7-1-2-12-6-7/h1-2,6,8,10H,3-5H2
InChIKeyKTBSYTUVQBPVEZ-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.08
Rot. Bonds3

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

1-(azetidin-3-yl)-2-thiophen-3-ylethanone (PubChem CID 116583807) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-thiophen-3-ylethanone
PubChem CID116583807
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(azetidin-3-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)C1CNC1
InChIInChI=1S/C9H11NOS/c11-9(8-4-10-5-8)3-7-1-2-12-6-7/h1-2,6,8,10H,3-5H2
InChIKeyKTBSYTUVQBPVEZ-UHFFFAOYSA-N
XLogP1.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-3-yl)-2-thiophen-3-ylethanone 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-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
3-(azetidin-3-yl)-1-thiophen-3-ylbutan-2-one
CID 116680782
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-thiophen-3-ylethanone (CID 116583807) is 1-(azetidin-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is KTBSYTUVQBPVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(8-4-10-5-8)3-7-1-2-12-6-7/h1-2,6,8,10H,3-5H2.
What are the key properties of 1-(azetidin-3-yl)-2-thiophen-3-ylethanone?
1-(azetidin-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 181.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116583807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).