1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one

C11H13NOS — CID 67685787

IUPAC1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one
SMILESCSc1ccc(CN2CCC2=O)cc1
InChIInChI=1S/C11H13NOS/c1-14-10-4-2-9(3-5-10)8-12-7-6-11(12)13/h2-5H,6-8H2,1H3
InChIKeyIQIXQOMXZTXZTM-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.14
Rot. Bonds3

About 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one

1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one (PubChem CID 67685787) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one
PubChem CID67685787
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one
SMILESCSc1ccc(CN2CCC2=O)cc1
InChIInChI=1S/C11H13NOS/c1-14-10-4-2-9(3-5-10)8-12-7-6-11(12)13/h2-5H,6-8H2,1H3
InChIKeyIQIXQOMXZTXZTM-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one?
The IUPAC name of 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one (CID 67685787) is 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one?
The canonical SMILES for 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one is CSc1ccc(CN2CCC2=O)cc1.
What is the InChIKey of 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one?
The InChIKey is IQIXQOMXZTXZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-14-10-4-2-9(3-5-10)8-12-7-6-11(12)13/h2-5H,6-8H2,1H3.
What are the key properties of 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one?
1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one has a molecular weight of 207.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 67685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).