4-methyl-1-phenylsulfanylazetidine-2,3-dione

C10H9NO2S — CID 140982809

IUPAC4-methyl-1-phenylsulfanylazetidine-2,3-dione
SMILESCC1C(=O)C(=O)N1Sc1ccccc1
InChIInChI=1S/C10H9NO2S/c1-7-9(12)10(13)11(7)14-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyVHIXMPBLQANTDU-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.49
Rot. Bonds2

About 4-methyl-1-phenylsulfanylazetidine-2,3-dione

4-methyl-1-phenylsulfanylazetidine-2,3-dione (PubChem CID 140982809) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-methyl-1-phenylsulfanylazetidine-2,3-dione.

Molecular Properties

Compound Name4-methyl-1-phenylsulfanylazetidine-2,3-dione
PubChem CID140982809
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-methyl-1-phenylsulfanylazetidine-2,3-dione
SMILESCC1C(=O)C(=O)N1Sc1ccccc1
InChIInChI=1S/C10H9NO2S/c1-7-9(12)10(13)11(7)14-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyVHIXMPBLQANTDU-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-1-phenylsulfanylazetidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-phenylsulfanylpyrrolidine
CID 170209492
(2-oxo-4-phenyl-1-phenylsulfanylazetidin-3-yl) acetate
CID 102273828
[(3S,4S)-2-oxo-4-phenyl-1-phenylsulfanylazetidin-3-yl] acetate
CID 102078289
[(2S,3S)-2-tert-butyl-4-oxo-1-phenylsulfanylazetidin-3-yl] acetate
CID 102078291
[(3S,4S)-2-oxo-1-phenylsulfanyl-4-propan-2-ylazetidin-3-yl] acetate
CID 102078290
formic acid;2-methyl-1-phenylsulfanylpyrrolidine
CID 142344019
2-methyl-1,5-dioxo-3,4-dihydro-2-benzazepine-4-carbonitrile
CID 67893857
methyl 4-[(2S,3S)-3-acetyloxy-4-oxo-1-phenylsulfanylazetidin-2-yl]benzoate
CID 102078294
1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
CID 2392352
5-methyl-3,4-dimethylidene-1-phenylpyrrolidin-2-one
CID 88552962
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
(3R,4S,5S)-1,5-dimethyl-4-phenyl-3-phenylsulfanylpyrrolidin-2-one
CID 11522228

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylsulfanylazetidine-2,3-dione?
The IUPAC name of 4-methyl-1-phenylsulfanylazetidine-2,3-dione (CID 140982809) is 4-methyl-1-phenylsulfanylazetidine-2,3-dione.
What is the SMILES notation for 4-methyl-1-phenylsulfanylazetidine-2,3-dione?
The canonical SMILES for 4-methyl-1-phenylsulfanylazetidine-2,3-dione is CC1C(=O)C(=O)N1Sc1ccccc1.
What is the InChIKey of 4-methyl-1-phenylsulfanylazetidine-2,3-dione?
The InChIKey is VHIXMPBLQANTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7-9(12)10(13)11(7)14-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 4-methyl-1-phenylsulfanylazetidine-2,3-dione?
4-methyl-1-phenylsulfanylazetidine-2,3-dione has a molecular weight of 207.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylsulfanylazetidine-2,3-dione is sourced from PubChem (CID 140982809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).