2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide

C15H22N4O2S — CID 18954717

IUPAC2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide
SMILESCc1cc2nccn2nc1CCC1(CCS(N)(=O)=O)CCC1
InChIInChI=1S/C15H22N4O2S/c1-12-11-14-17-8-9-19(14)18-13(12)3-6-15(4-2-5-15)7-10-22(16,20)21/h8-9,11H,2-7,10H2,1H3,(H2,16,20,21)
InChIKeyFBIJHIRAEAXPCV-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.82
Rot. Bonds6

About 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide

2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide (PubChem CID 18954717) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide
PubChem CID18954717
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide
SMILESCc1cc2nccn2nc1CCC1(CCS(N)(=O)=O)CCC1
InChIInChI=1S/C15H22N4O2S/c1-12-11-14-17-8-9-19(14)18-13(12)3-6-15(4-2-5-15)7-10-22(16,20)21/h8-9,11H,2-7,10H2,1H3,(H2,16,20,21)
InChIKeyFBIJHIRAEAXPCV-UHFFFAOYSA-N
XLogP1.82
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide?
The IUPAC name of 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide (CID 18954717) is 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide.
What is the SMILES notation for 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide?
The canonical SMILES for 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide is Cc1cc2nccn2nc1CCC1(CCS(N)(=O)=O)CCC1.
What is the InChIKey of 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide?
The InChIKey is FBIJHIRAEAXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-12-11-14-17-8-9-19(14)18-13(12)3-6-15(4-2-5-15)7-10-22(16,20)21/h8-9,11H,2-7,10H2,1H3,(H2,16,20,21).
What are the key properties of 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide?
2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(7-methylimidazo[1,2-b]pyridazin-6-yl)ethyl]cyclobutyl]ethanesulfonamide is sourced from PubChem (CID 18954717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).