3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide

C10H14N4O2S2 — CID 18988139

IUPAC3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
SMILESCc1cc2nccn2nc1SCCCS(N)(=O)=O
InChIInChI=1S/C10H14N4O2S2/c1-8-7-9-12-3-4-14(9)13-10(8)17-5-2-6-18(11,15)16/h3-4,7H,2,5-6H2,1H3,(H2,11,15,16)
InChIKeyKITPTCCSSIFHPP-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.81
Rot. Bonds5

About 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide

3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide (PubChem CID 18988139) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
PubChem CID18988139
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
SMILESCc1cc2nccn2nc1SCCCS(N)(=O)=O
InChIInChI=1S/C10H14N4O2S2/c1-8-7-9-12-3-4-14(9)13-10(8)17-5-2-6-18(11,15)16/h3-4,7H,2,5-6H2,1H3,(H2,11,15,16)
InChIKeyKITPTCCSSIFHPP-UHFFFAOYSA-N
XLogP0.81
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
The IUPAC name of 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide (CID 18988139) is 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide.
What is the SMILES notation for 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
The canonical SMILES for 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide is Cc1cc2nccn2nc1SCCCS(N)(=O)=O.
What is the InChIKey of 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
The InChIKey is KITPTCCSSIFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-8-7-9-12-3-4-14(9)13-10(8)17-5-2-6-18(11,15)16/h3-4,7H,2,5-6H2,1H3,(H2,11,15,16).
What are the key properties of 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide is sourced from PubChem (CID 18988139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).