3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine

C13H16N2O2S2 — CID 158340828

IUPAC3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine
SMILESCc1ccc(CS(=O)(=O)c2csc(C(C)C)c2)nn1
InChIInChI=1S/C13H16N2O2S2/c1-9(2)13-6-12(7-18-13)19(16,17)8-11-5-4-10(3)14-15-11/h4-7,9H,8H2,1-3H3
InChIKeyYNGDYTVIBFYWQW-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.94
Rot. Bonds4

About 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine

3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine (PubChem CID 158340828) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine
PubChem CID158340828
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine
SMILESCc1ccc(CS(=O)(=O)c2csc(C(C)C)c2)nn1
InChIInChI=1S/C13H16N2O2S2/c1-9(2)13-6-12(7-18-13)19(16,17)8-11-5-4-10(3)14-15-11/h4-7,9H,8H2,1-3H3
InChIKeyYNGDYTVIBFYWQW-UHFFFAOYSA-N
XLogP2.94
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine?
The IUPAC name of 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine (CID 158340828) is 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine?
The canonical SMILES for 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine is Cc1ccc(CS(=O)(=O)c2csc(C(C)C)c2)nn1.
What is the InChIKey of 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine?
The InChIKey is YNGDYTVIBFYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9(2)13-6-12(7-18-13)19(16,17)8-11-5-4-10(3)14-15-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine?
3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine has a molecular weight of 296.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(5-propan-2-ylthiophen-3-yl)sulfonylmethyl]pyridazine is sourced from PubChem (CID 158340828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).