3-methyl-4-methylsulfanylazetidin-2-one

C5H9NOS — CID 18781951

IUPAC3-methyl-4-methylsulfanylazetidin-2-one
SMILESCSC1NC(=O)C1C
InChIInChI=1S/C5H9NOS/c1-3-4(7)6-5(3)8-2/h3,5H,1-2H3,(H,6,7)
InChIKeyWBRKQSQPIXIQSJ-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.44
Rot. Bonds1

About 3-methyl-4-methylsulfanylazetidin-2-one

3-methyl-4-methylsulfanylazetidin-2-one (PubChem CID 18781951) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanylazetidin-2-one.

Molecular Properties

Compound Name3-methyl-4-methylsulfanylazetidin-2-one
PubChem CID18781951
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name3-methyl-4-methylsulfanylazetidin-2-one
SMILESCSC1NC(=O)C1C
InChIInChI=1S/C5H9NOS/c1-3-4(7)6-5(3)8-2/h3,5H,1-2H3,(H,6,7)
InChIKeyWBRKQSQPIXIQSJ-UHFFFAOYSA-N
XLogP0.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanylazetidin-2-one?
The IUPAC name of 3-methyl-4-methylsulfanylazetidin-2-one (CID 18781951) is 3-methyl-4-methylsulfanylazetidin-2-one.
What is the SMILES notation for 3-methyl-4-methylsulfanylazetidin-2-one?
The canonical SMILES for 3-methyl-4-methylsulfanylazetidin-2-one is CSC1NC(=O)C1C.
What is the InChIKey of 3-methyl-4-methylsulfanylazetidin-2-one?
The InChIKey is WBRKQSQPIXIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-3-4(7)6-5(3)8-2/h3,5H,1-2H3,(H,6,7).
What are the key properties of 3-methyl-4-methylsulfanylazetidin-2-one?
3-methyl-4-methylsulfanylazetidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanylazetidin-2-one is sourced from PubChem (CID 18781951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).