6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one

C11H15N3O4S — CID 121164410

IUPAC6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C11H15N3O4S/c1-3-19(17,18)8-6-14(7-8)11(16)9-4-5-10(15)13(2)12-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyUDHCWGWQBRONDB-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.96
Rot. Bonds3

About 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one

6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 121164410) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID121164410
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)C1
InChIInChI=1S/C11H15N3O4S/c1-3-19(17,18)8-6-14(7-8)11(16)9-4-5-10(15)13(2)12-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyUDHCWGWQBRONDB-UHFFFAOYSA-N
XLogP-0.96
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one (CID 121164410) is 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one is CCS(=O)(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)C1.
What is the InChIKey of 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is UDHCWGWQBRONDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-3-19(17,18)8-6-14(7-8)11(16)9-4-5-10(15)13(2)12-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 285.32 g/mol, XLogP of -0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylsulfonylazetidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 121164410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).