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

C9H11NOS — CID 116582227

IUPAC2-(azetidin-3-yl)-1-thiophen-3-ylethanone
SMILESO=C(CC1CNC1)c1ccsc1
InChIInChI=1S/C9H11NOS/c11-9(3-7-4-10-5-7)8-1-2-12-6-8/h1-2,6-7,10H,3-5H2
InChIKeyHGUSHHFZBIEHAH-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.54
Rot. Bonds3

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

2-(azetidin-3-yl)-1-thiophen-3-ylethanone (PubChem CID 116582227) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-thiophen-3-ylethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-thiophen-3-ylethanone
PubChem CID116582227
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(azetidin-3-yl)-1-thiophen-3-ylethanone
SMILESO=C(CC1CNC1)c1ccsc1
InChIInChI=1S/C9H11NOS/c11-9(3-7-4-10-5-7)8-1-2-12-6-8/h1-2,6-7,10H,3-5H2
InChIKeyHGUSHHFZBIEHAH-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

2-piperidin-3-yl-1-thiophen-3-ylethanone
CID 116564139
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
CID 130487424
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone
CID 116582391
N-(3-azabicyclo[3.1.0]hexan-6-yl)thiophene-3-carboxamide
CID 43594331
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 116582339
2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 116582203

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-thiophen-3-ylethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-thiophen-3-ylethanone (CID 116582227) is 2-(azetidin-3-yl)-1-thiophen-3-ylethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-thiophen-3-ylethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-thiophen-3-ylethanone is O=C(CC1CNC1)c1ccsc1.
What is the InChIKey of 2-(azetidin-3-yl)-1-thiophen-3-ylethanone?
The InChIKey is HGUSHHFZBIEHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(3-7-4-10-5-7)8-1-2-12-6-8/h1-2,6-7,10H,3-5H2.
What are the key properties of 2-(azetidin-3-yl)-1-thiophen-3-ylethanone?
2-(azetidin-3-yl)-1-thiophen-3-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-3-ylethanone is sourced from PubChem (CID 116582227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).