3-methyl-4-phenylsulfanylazetidin-2-one

C10H11NOS — CID 78070316

IUPAC3-methyl-4-phenylsulfanylazetidin-2-one
SMILESCC1C(=O)NC1Sc1ccccc1
InChIInChI=1S/C10H11NOS/c1-7-9(12)11-10(7)13-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)
InChIKeyNETBYXFEFCCDGL-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.87
Rot. Bonds2

About 3-methyl-4-phenylsulfanylazetidin-2-one

3-methyl-4-phenylsulfanylazetidin-2-one (PubChem CID 78070316) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-methyl-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name3-methyl-4-phenylsulfanylazetidin-2-one
PubChem CID78070316
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-methyl-4-phenylsulfanylazetidin-2-one
SMILESCC1C(=O)NC1Sc1ccccc1
InChIInChI=1S/C10H11NOS/c1-7-9(12)11-10(7)13-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)
InChIKeyNETBYXFEFCCDGL-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylsulfanylazetidin-2-one?
The IUPAC name of 3-methyl-4-phenylsulfanylazetidin-2-one (CID 78070316) is 3-methyl-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for 3-methyl-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for 3-methyl-4-phenylsulfanylazetidin-2-one is CC1C(=O)NC1Sc1ccccc1.
What is the InChIKey of 3-methyl-4-phenylsulfanylazetidin-2-one?
The InChIKey is NETBYXFEFCCDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-9(12)11-10(7)13-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12).
What are the key properties of 3-methyl-4-phenylsulfanylazetidin-2-one?
3-methyl-4-phenylsulfanylazetidin-2-one has a molecular weight of 193.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 78070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).