4-(4-methylsulfanylphenoxy)azetidin-2-one

C10H11NO2S — CID 57173957

IUPAC4-(4-methylsulfanylphenoxy)azetidin-2-one
SMILESCSc1ccc(OC2CC(=O)N2)cc1
InChIInChI=1S/C10H11NO2S/c1-14-8-4-2-7(3-5-8)13-10-6-9(12)11-10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyMMGPOLZJGCXMNQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.63
Rot. Bonds3

About 4-(4-methylsulfanylphenoxy)azetidin-2-one

4-(4-methylsulfanylphenoxy)azetidin-2-one (PubChem CID 57173957) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenoxy)azetidin-2-one.

Molecular Properties

Compound Name4-(4-methylsulfanylphenoxy)azetidin-2-one
PubChem CID57173957
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4-(4-methylsulfanylphenoxy)azetidin-2-one
SMILESCSc1ccc(OC2CC(=O)N2)cc1
InChIInChI=1S/C10H11NO2S/c1-14-8-4-2-7(3-5-8)13-10-6-9(12)11-10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyMMGPOLZJGCXMNQ-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenoxy)azetidin-2-one?
The IUPAC name of 4-(4-methylsulfanylphenoxy)azetidin-2-one (CID 57173957) is 4-(4-methylsulfanylphenoxy)azetidin-2-one.
What is the SMILES notation for 4-(4-methylsulfanylphenoxy)azetidin-2-one?
The canonical SMILES for 4-(4-methylsulfanylphenoxy)azetidin-2-one is CSc1ccc(OC2CC(=O)N2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenoxy)azetidin-2-one?
The InChIKey is MMGPOLZJGCXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-14-8-4-2-7(3-5-8)13-10-6-9(12)11-10/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 4-(4-methylsulfanylphenoxy)azetidin-2-one?
4-(4-methylsulfanylphenoxy)azetidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenoxy)azetidin-2-one is sourced from PubChem (CID 57173957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).