5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one

C10H17N3O3S — CID 106549114

IUPAC5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
SMILESCc1cnn(CCNCCS(C)(=O)=O)c(=O)c1
InChIInChI=1S/C10H17N3O3S/c1-9-7-10(14)13(12-8-9)5-3-11-4-6-17(2,15)16/h7-8,11H,3-6H2,1-2H3
InChIKeyOXBSVYLNOIJSFL-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.81
Rot. Bonds6

About 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one

5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one (PubChem CID 106549114) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
PubChem CID106549114
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
SMILESCc1cnn(CCNCCS(C)(=O)=O)c(=O)c1
InChIInChI=1S/C10H17N3O3S/c1-9-7-10(14)13(12-8-9)5-3-11-4-6-17(2,15)16/h7-8,11H,3-6H2,1-2H3
InChIKeyOXBSVYLNOIJSFL-UHFFFAOYSA-N
XLogP-0.81
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.81
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 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one (CID 106549114) is 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one is Cc1cnn(CCNCCS(C)(=O)=O)c(=O)c1.
What is the InChIKey of 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The InChIKey is OXBSVYLNOIJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-9-7-10(14)13(12-8-9)5-3-11-4-6-17(2,15)16/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one has a molecular weight of 259.33 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 106549114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).