5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione

C12H11NO2S — CID 121002782

IUPAC5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione
SMILESCC1(C)C(=O)N=C(c2ccccc2)SC1=O
InChIInChI=1S/C12H11NO2S/c1-12(2)10(14)13-9(16-11(12)15)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyTWKDIGUEMYKONZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.26
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione

5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione (PubChem CID 121002782) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione
PubChem CID121002782
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione
SMILESCC1(C)C(=O)N=C(c2ccccc2)SC1=O
InChIInChI=1S/C12H11NO2S/c1-12(2)10(14)13-9(16-11(12)15)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyTWKDIGUEMYKONZ-UHFFFAOYSA-N
XLogP2.26
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione?
The IUPAC name of 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione (CID 121002782) is 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione is CC1(C)C(=O)N=C(c2ccccc2)SC1=O.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione?
The InChIKey is TWKDIGUEMYKONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-12(2)10(14)13-9(16-11(12)15)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione?
5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione has a molecular weight of 233.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1,3-thiazine-4,6-dione is sourced from PubChem (CID 121002782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).