4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine

C8H11N3O2S — CID 16732462

IUPAC4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine
SMILESCN1CNS(=O)(=O)c2cc(N)ccc21
InChIInChI=1S/C8H11N3O2S/c1-11-5-10-14(12,13)8-4-6(9)2-3-7(8)11/h2-4,10H,5,9H2,1H3
InChIKeySKNMOQUELULVIE-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.05
Rot. Bonds

About 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine

4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine (PubChem CID 16732462) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine
PubChem CID16732462
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine
SMILESCN1CNS(=O)(=O)c2cc(N)ccc21
InChIInChI=1S/C8H11N3O2S/c1-11-5-10-14(12,13)8-4-6(9)2-3-7(8)11/h2-4,10H,5,9H2,1H3
InChIKeySKNMOQUELULVIE-UHFFFAOYSA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine?
The IUPAC name of 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine (CID 16732462) is 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine.
What is the SMILES notation for 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine?
The canonical SMILES for 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine is CN1CNS(=O)(=O)c2cc(N)ccc21.
What is the InChIKey of 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine?
The InChIKey is SKNMOQUELULVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-11-5-10-14(12,13)8-4-6(9)2-3-7(8)11/h2-4,10H,5,9H2,1H3.
What are the key properties of 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine?
4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine has a molecular weight of 213.26 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazin-7-amine is sourced from PubChem (CID 16732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).