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

C9H11NOS — CID 116582435

IUPAC2-(azetidin-3-yl)-1-thiophen-2-ylethanone
SMILESO=C(CC1CNC1)c1cccs1
InChIInChI=1S/C9H11NOS/c11-8(4-7-5-10-6-7)9-2-1-3-12-9/h1-3,7,10H,4-6H2
InChIKeyAPNGQACPESYYTG-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.54
Rot. Bonds3

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

2-(azetidin-3-yl)-1-thiophen-2-ylethanone (PubChem CID 116582435) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-thiophen-2-ylethanone
PubChem CID116582435
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(azetidin-3-yl)-1-thiophen-2-ylethanone
SMILESO=C(CC1CNC1)c1cccs1
InChIInChI=1S/C9H11NOS/c11-8(4-7-5-10-6-7)9-2-1-3-12-9/h1-3,7,10H,4-6H2
InChIKeyAPNGQACPESYYTG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
CID 130487423
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
CID 175855231
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
2-(azetidin-3-yl)-1-thiophen-3-ylethanone
CID 116582227
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64610778
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-thiophen-2-ylethanone
CID 66419552
2-(2-piperidin-3-ylethoxy)-1-thiophen-2-ylethanone;hydrochloride
CID 71645283
1-thiophen-2-ylpropan-1-one
CID 26179

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-thiophen-2-ylethanone (CID 116582435) is 2-(azetidin-3-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-thiophen-2-ylethanone is O=C(CC1CNC1)c1cccs1.
What is the InChIKey of 2-(azetidin-3-yl)-1-thiophen-2-ylethanone?
The InChIKey is APNGQACPESYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-8(4-7-5-10-6-7)9-2-1-3-12-9/h1-3,7,10H,4-6H2.
What are the key properties of 2-(azetidin-3-yl)-1-thiophen-2-ylethanone?
2-(azetidin-3-yl)-1-thiophen-2-ylethanone has a molecular weight of 181.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 116582435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).