2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one

C11H15N3O4S — CID 90587020

IUPAC2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCS(=O)(=O)C1CCN(C(=O)Cn2ncccc2=O)C1
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)9-4-6-13(7-9)11(16)8-14-10(15)3-2-5-12-14/h2-3,5,9H,4,6-8H2,1H3
InChIKeyGJWASVCVVUVDQA-UHFFFAOYSA-N
MW285.32 g/mol
LogP-1.11
Rot. Bonds3

About 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one

2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 90587020) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID90587020
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCS(=O)(=O)C1CCN(C(=O)Cn2ncccc2=O)C1
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)9-4-6-13(7-9)11(16)8-14-10(15)3-2-5-12-14/h2-3,5,9H,4,6-8H2,1H3
InChIKeyGJWASVCVVUVDQA-UHFFFAOYSA-N
XLogP-1.11
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 ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 90587020) is 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one is CS(=O)(=O)C1CCN(C(=O)Cn2ncccc2=O)C1.
What is the InChIKey of 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is GJWASVCVVUVDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-19(17,18)9-4-6-13(7-9)11(16)8-14-10(15)3-2-5-12-14/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one?
2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 285.32 g/mol, XLogP of -1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 90587020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).