4-methylsulfinyl-1-phenacylazetidin-2-one

C12H13NO3S — CID 18781970

IUPAC4-methylsulfinyl-1-phenacylazetidin-2-one
SMILESCS(=O)C1CC(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C12H13NO3S/c1-17(16)12-7-11(15)13(12)8-10(14)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKeyGEVPHFZLDUBLAB-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.81
Rot. Bonds4

About 4-methylsulfinyl-1-phenacylazetidin-2-one

4-methylsulfinyl-1-phenacylazetidin-2-one (PubChem CID 18781970) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methylsulfinyl-1-phenacylazetidin-2-one.

Molecular Properties

Compound Name4-methylsulfinyl-1-phenacylazetidin-2-one
PubChem CID18781970
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-methylsulfinyl-1-phenacylazetidin-2-one
SMILESCS(=O)C1CC(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C12H13NO3S/c1-17(16)12-7-11(15)13(12)8-10(14)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3
InChIKeyGEVPHFZLDUBLAB-UHFFFAOYSA-N
XLogP0.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide
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4,4-dimethyl-1-phenacylpyrrolidin-2-one
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4-bromo-3-phenacyl-1,3-thiazolidin-2-one
CID 67846103
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
CID 63102458
5-iodo-2-methyl-1-phenacyl-2,3-dihydropyridin-4-one
CID 58053893
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
1-methyl-3-phenacylpyrrolidine-2,5-dione
CID 71420234
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
(3R,4R)-4-benzoyl-3-(1-hydroxyethyl)-1-phenacylazetidin-2-one
CID 67850729
2-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethanone;hydrochloride
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CID 63776591

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-1-phenacylazetidin-2-one?
The IUPAC name of 4-methylsulfinyl-1-phenacylazetidin-2-one (CID 18781970) is 4-methylsulfinyl-1-phenacylazetidin-2-one.
What is the SMILES notation for 4-methylsulfinyl-1-phenacylazetidin-2-one?
The canonical SMILES for 4-methylsulfinyl-1-phenacylazetidin-2-one is CS(=O)C1CC(=O)N1CC(=O)c1ccccc1.
What is the InChIKey of 4-methylsulfinyl-1-phenacylazetidin-2-one?
The InChIKey is GEVPHFZLDUBLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-17(16)12-7-11(15)13(12)8-10(14)9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3.
What are the key properties of 4-methylsulfinyl-1-phenacylazetidin-2-one?
4-methylsulfinyl-1-phenacylazetidin-2-one has a molecular weight of 251.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-1-phenacylazetidin-2-one is sourced from PubChem (CID 18781970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).