2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide

C15H24N4O3S — CID 139747763

IUPAC2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide
SMILESCC(C)Cc1cc2nccn2nc1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C15H24N4O3S/c1-11(2)7-12-8-13-17-5-6-19(13)18-14(12)22-9-15(3,4)10-23(16,20)21/h5-6,8,11H,7,9-10H2,1-4H3,(H2,16,20,21)
InChIKeyVCBAKAMUUMVUCO-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.62
Rot. Bonds7

About 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide

2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide (PubChem CID 139747763) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide
PubChem CID139747763
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide
SMILESCC(C)Cc1cc2nccn2nc1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C15H24N4O3S/c1-11(2)7-12-8-13-17-5-6-19(13)18-14(12)22-9-15(3,4)10-23(16,20)21/h5-6,8,11H,7,9-10H2,1-4H3,(H2,16,20,21)
InChIKeyVCBAKAMUUMVUCO-UHFFFAOYSA-N
XLogP1.62
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide (CID 139747763) is 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide is CC(C)Cc1cc2nccn2nc1OCC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide?
The InChIKey is VCBAKAMUUMVUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11(2)7-12-8-13-17-5-6-19(13)18-14(12)22-9-15(3,4)10-23(16,20)21/h5-6,8,11H,7,9-10H2,1-4H3,(H2,16,20,21).
What are the key properties of 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide?
2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide is sourced from PubChem (CID 139747763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).