3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide

C15H24N4O2S — CID 18954722

IUPAC3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide
SMILESCCC(CC)(CCc1ccc2nccn2n1)CCS(N)(=O)=O
InChIInChI=1S/C15H24N4O2S/c1-3-15(4-2,9-12-22(16,20)21)8-7-13-5-6-14-17-10-11-19(14)18-13/h5-6,10-11H,3-4,7-9,12H2,1-2H3,(H2,16,20,21)
InChIKeyZKFSDKXNOCPKNS-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.15
Rot. Bonds8

About 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide

3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide (PubChem CID 18954722) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide.

Molecular Properties

Compound Name3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide
PubChem CID18954722
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide
SMILESCCC(CC)(CCc1ccc2nccn2n1)CCS(N)(=O)=O
InChIInChI=1S/C15H24N4O2S/c1-3-15(4-2,9-12-22(16,20)21)8-7-13-5-6-14-17-10-11-19(14)18-13/h5-6,10-11H,3-4,7-9,12H2,1-2H3,(H2,16,20,21)
InChIKeyZKFSDKXNOCPKNS-UHFFFAOYSA-N
XLogP2.15
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(4-pyridyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methane-sulfonamide
CID 90670244
N-[3-(3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanesulfonamide
CID 90670295
N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide
CID 90670296
3-(4-Methylsulfinylphenyl)-6-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 155539147
6-(4-Methylsulfinylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 155545020
N-(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methanesulfonamide
CID 49786348
3-(3-Methylphenyl)imidazo[1,2-b]pyridazine
CID 49790889
N-[3-[6-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanesulfonamide
CID 117769406
6-[6-Amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-sulfonamide
CID 145972831
N-[3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155516173
N-[3-methyl-6-(2-phenylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155535106
N-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanesulfonamide
CID 155551106

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide?
The IUPAC name of 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide (CID 18954722) is 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide.
What is the SMILES notation for 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide?
The canonical SMILES for 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide is CCC(CC)(CCc1ccc2nccn2n1)CCS(N)(=O)=O.
What is the InChIKey of 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide?
The InChIKey is ZKFSDKXNOCPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-15(4-2,9-12-22(16,20)21)8-7-13-5-6-14-17-10-11-19(14)18-13/h5-6,10-11H,3-4,7-9,12H2,1-2H3,(H2,16,20,21).
What are the key properties of 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide?
3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-imidazo[1,2-b]pyridazin-6-ylpentane-1-sulfonamide is sourced from PubChem (CID 18954722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).