azetidin-3-yl(thiophen-2-yl)methanone

C8H9NOS — CID 58080702

IUPACazetidin-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CNC1
InChIInChI=1S/C8H9NOS/c10-8(6-4-9-5-6)7-2-1-3-11-7/h1-3,6,9H,4-5H2
InChIKeyZOBAWYPVLPOGLQ-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.15
Rot. Bonds2

About azetidin-3-yl(thiophen-2-yl)methanone

azetidin-3-yl(thiophen-2-yl)methanone (PubChem CID 58080702) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is azetidin-3-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl(thiophen-2-yl)methanone
PubChem CID58080702
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Nameazetidin-3-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CNC1
InChIInChI=1S/C8H9NOS/c10-8(6-4-9-5-6)7-2-1-3-11-7/h1-3,6,9H,4-5H2
InChIKeyZOBAWYPVLPOGLQ-UHFFFAOYSA-N
XLogP1.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
CID 175855231
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
CID 116573474
(3,4-dimethylcyclohexyl)-thiophen-2-ylmethanone
CID 64740221
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
[1-(cyclobutanecarbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394397
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(thiophen-2-yl)methanone?
The IUPAC name of azetidin-3-yl(thiophen-2-yl)methanone (CID 58080702) is azetidin-3-yl(thiophen-2-yl)methanone.
What is the SMILES notation for azetidin-3-yl(thiophen-2-yl)methanone?
The canonical SMILES for azetidin-3-yl(thiophen-2-yl)methanone is O=C(c1cccs1)C1CNC1.
What is the InChIKey of azetidin-3-yl(thiophen-2-yl)methanone?
The InChIKey is ZOBAWYPVLPOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-8(6-4-9-5-6)7-2-1-3-11-7/h1-3,6,9H,4-5H2.
What are the key properties of azetidin-3-yl(thiophen-2-yl)methanone?
azetidin-3-yl(thiophen-2-yl)methanone has a molecular weight of 167.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 58080702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).