methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate

C12H11ClN2O4S — CID 135316727

IUPACmethyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2cccc(Cl)c2)=NS(=O)(=O)N1C
InChIInChI=1S/C12H11ClN2O4S/c1-15-11(12(16)19-2)7-10(14-20(15,17)18)8-4-3-5-9(13)6-8/h3-7H,1-2H3
InChIKeyOYDAZSGURIATHJ-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.38
Rot. Bonds2

About methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate

methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate (PubChem CID 135316727) has the molecular formula C12H11ClN2O4S and a molecular weight of 314.75 g/mol. Its IUPAC name is methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
PubChem CID135316727
Molecular FormulaC12H11ClN2O4S
Molecular Weight314.75 g/mol
Exact Mass314.01
IUPAC Namemethyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2cccc(Cl)c2)=NS(=O)(=O)N1C
InChIInChI=1S/C12H11ClN2O4S/c1-15-11(12(16)19-2)7-10(14-20(15,17)18)8-4-3-5-9(13)6-8/h3-7H,1-2H3
InChIKeyOYDAZSGURIATHJ-UHFFFAOYSA-N
XLogP1.38
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate 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 methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The IUPAC name of methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate (CID 135316727) is methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate.
What is the SMILES notation for methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The canonical SMILES for methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate is COC(=O)C1=CC(c2cccc(Cl)c2)=NS(=O)(=O)N1C.
What is the InChIKey of methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
The InChIKey is OYDAZSGURIATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S/c1-15-11(12(16)19-2)7-10(14-20(15,17)18)8-4-3-5-9(13)6-8/h3-7H,1-2H3.
What are the key properties of methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate?
methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate has a molecular weight of 314.75 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chlorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxylate is sourced from PubChem (CID 135316727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).