5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

C12H15NO4S — CID 84641314

IUPAC5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESCOc1ccc(C)c2c1NC(=O)C(C)(C)S2(=O)=O
InChIInChI=1S/C12H15NO4S/c1-7-5-6-8(17-4)9-10(7)18(15,16)12(2,3)11(14)13-9/h5-6H,1-4H3,(H,13,14)
InChIKeyWLQJDGNCIUPKBF-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.51
Rot. Bonds1

About 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one

5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (PubChem CID 84641314) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.

Molecular Properties

Compound Name5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
PubChem CID84641314
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
SMILESCOc1ccc(C)c2c1NC(=O)C(C)(C)S2(=O)=O
InChIInChI=1S/C12H15NO4S/c1-7-5-6-8(17-4)9-10(7)18(15,16)12(2,3)11(14)13-9/h5-6H,1-4H3,(H,13,14)
InChIKeyWLQJDGNCIUPKBF-UHFFFAOYSA-N
XLogP1.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The IUPAC name of 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one (CID 84641314) is 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one.
What is the SMILES notation for 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The canonical SMILES for 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is COc1ccc(C)c2c1NC(=O)C(C)(C)S2(=O)=O.
What is the InChIKey of 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
The InChIKey is WLQJDGNCIUPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-7-5-6-8(17-4)9-10(7)18(15,16)12(2,3)11(14)13-9/h5-6H,1-4H3,(H,13,14).
What are the key properties of 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one?
5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one has a molecular weight of 269.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,8-trimethyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one is sourced from PubChem (CID 84641314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).