N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide

C13H19N5O4S — CID 10521178

IUPACN-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccc(OCC(C)(C)CS(N)(=O)=O)nn12
InChIInChI=1S/C13H19N5O4S/c1-9(19)16-11-6-15-10-4-5-12(17-18(10)11)22-7-13(2,3)8-23(14,20)21/h4-6H,7-8H2,1-3H3,(H,16,19)(H2,14,20,21)
InChIKeyXXEYHJQRJOXHLY-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.38
Rot. Bonds6

About N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide

N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide (PubChem CID 10521178) has the molecular formula C13H19N5O4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide
PubChem CID10521178
Molecular FormulaC13H19N5O4S
Molecular Weight341.39 g/mol
Exact Mass341.12
IUPAC NameN-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccc(OCC(C)(C)CS(N)(=O)=O)nn12
InChIInChI=1S/C13H19N5O4S/c1-9(19)16-11-6-15-10-4-5-12(17-18(10)11)22-7-13(2,3)8-23(14,20)21/h4-6H,7-8H2,1-3H3,(H,16,19)(H2,14,20,21)
InChIKeyXXEYHJQRJOXHLY-UHFFFAOYSA-N
XLogP0.38
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide (CID 10521178) is N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide is CC(=O)Nc1cnc2ccc(OCC(C)(C)CS(N)(=O)=O)nn12.
What is the InChIKey of N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide?
The InChIKey is XXEYHJQRJOXHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4S/c1-9(19)16-11-6-15-10-4-5-12(17-18(10)11)22-7-13(2,3)8-23(14,20)21/h4-6H,7-8H2,1-3H3,(H,16,19)(H2,14,20,21).
What are the key properties of N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide?
N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide has a molecular weight of 341.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide is sourced from PubChem (CID 10521178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).