4-(benzenesulfinyl)azetidin-2-one

C9H9NO2S — CID 14984775

IUPAC4-(benzenesulfinyl)azetidin-2-one
SMILESO=C1CC(S(=O)c2ccccc2)N1
InChIInChI=1S/C9H9NO2S/c11-8-6-9(10-8)13(12)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyUSAVAAIBXFCTME-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.64
Rot. Bonds2

About 4-(benzenesulfinyl)azetidin-2-one

4-(benzenesulfinyl)azetidin-2-one (PubChem CID 14984775) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(benzenesulfinyl)azetidin-2-one.

Molecular Properties

Compound Name4-(benzenesulfinyl)azetidin-2-one
PubChem CID14984775
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name4-(benzenesulfinyl)azetidin-2-one
SMILESO=C1CC(S(=O)c2ccccc2)N1
InChIInChI=1S/C9H9NO2S/c11-8-6-9(10-8)13(12)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyUSAVAAIBXFCTME-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
4-(Phenylsulfonyl)-2-azetidinone
CID 4589027
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
4-(3,4-Difluorophenyl)sulfanylazetidin-2-one
CID 118526691
4-(Phenylthio)azetidin-2-one
CID 182063
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
4-(4-Fluorophenyl)sulfanylazetidin-2-one
CID 54346722
4-(2,4-Difluorophenyl)sulfanylazetidin-2-one
CID 101896516
4-(2-Fluorophenyl)sulfanylazetidin-2-one
CID 118526378
4-(3-Fluorophenyl)sulfanylazetidin-2-one
CID 118526537
4-(4-Methylsulfanylphenyl)sulfanylazetidin-2-one
CID 118526788
4-(4-Sulfanylphenyl)sulfanylazetidin-2-one
CID 54764500

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)azetidin-2-one?
The IUPAC name of 4-(benzenesulfinyl)azetidin-2-one (CID 14984775) is 4-(benzenesulfinyl)azetidin-2-one.
What is the SMILES notation for 4-(benzenesulfinyl)azetidin-2-one?
The canonical SMILES for 4-(benzenesulfinyl)azetidin-2-one is O=C1CC(S(=O)c2ccccc2)N1.
What is the InChIKey of 4-(benzenesulfinyl)azetidin-2-one?
The InChIKey is USAVAAIBXFCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-8-6-9(10-8)13(12)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of 4-(benzenesulfinyl)azetidin-2-one?
4-(benzenesulfinyl)azetidin-2-one has a molecular weight of 195.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)azetidin-2-one is sourced from PubChem (CID 14984775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).