6-[(3-Sulfamoyl-2,2-dimethylpropyl)thio]imidazo[1,2-b]pyridazine

HCID 9972030

Notes Reactions

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Basic information

Standard SMILES: CC(C)(CSc1ccc2nccn2n1)CS(N)(=O)=O
InChIKey: KOTZIBUPQJMTBL-UHFFFAOYSA-N
Molecular formula: C11H16N4O2S2
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.07146811

Names & identifiers

Preferred name: 6-[(3-Sulfamoyl-2,2-dimethylpropyl)thio]imidazo[1,2-b]pyridazine
IUPAC: 3-imidazo[1,2-b]pyridazin-6-ylsulfanyl-2,2-dimethylpropane-1-sulfonamide

Names & synonyms

SCHEMBL9215013KOTZIBUPQJMTBL-UHFFFAOYSA-N6-[(3-Sulfamoyl-2,2-dimethylpropyl) thio]imidazo[1,2-b]pyridazine6-[(3-sulfamoyl-2,2-dimethylpropyl)thio]imidazo[1,2-b]pyridazine

Database identifiers

PubChem CID: 9972030
Nikkaji: J688.920D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 124 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 407

Related reactions

3 records

New reaction record

HRID 465941As productuspto-grants-1992_10

HRID 1122354As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1590065As productuspto-grants-1993_04

Compound notes

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