5-methyl-6-phenyl-1,3-thiazinane-2,4-dione

C11H11NO2S — CID 3057263

IUPAC5-methyl-6-phenyl-1,3-thiazinane-2,4-dione
SMILESCC1C(=O)NC(=O)SC1c1ccccc1
InChIInChI=1S/C11H11NO2S/c1-7-9(8-5-3-2-4-6-8)15-11(14)12-10(7)13/h2-7,9H,1H3,(H,12,13,14)
InChIKeyHBVRZWKIUHHPML-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.35
Rot. Bonds1

About 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione

5-methyl-6-phenyl-1,3-thiazinane-2,4-dione (PubChem CID 3057263) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-phenyl-1,3-thiazinane-2,4-dione
PubChem CID3057263
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-methyl-6-phenyl-1,3-thiazinane-2,4-dione
SMILESCC1C(=O)NC(=O)SC1c1ccccc1
InChIInChI=1S/C11H11NO2S/c1-7-9(8-5-3-2-4-6-8)15-11(14)12-10(7)13/h2-7,9H,1H3,(H,12,13,14)
InChIKeyHBVRZWKIUHHPML-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione?
The IUPAC name of 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione (CID 3057263) is 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione.
What is the SMILES notation for 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione?
The canonical SMILES for 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione is CC1C(=O)NC(=O)SC1c1ccccc1.
What is the InChIKey of 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione?
The InChIKey is HBVRZWKIUHHPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-9(8-5-3-2-4-6-8)15-11(14)12-10(7)13/h2-7,9H,1H3,(H,12,13,14).
What are the key properties of 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione?
5-methyl-6-phenyl-1,3-thiazinane-2,4-dione has a molecular weight of 221.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-1,3-thiazinane-2,4-dione is sourced from PubChem (CID 3057263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).