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

C9H15N3O3S — CID 62850874

IUPAC2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
SMILESCS(=O)(=O)CCNCCn1ncccc1=O
InChIInChI=1S/C9H15N3O3S/c1-16(14,15)8-6-10-5-7-12-9(13)3-2-4-11-12/h2-4,10H,5-8H2,1H3
InChIKeyHDZOKNWQTBTREY-UHFFFAOYSA-N
MW245.30 g/mol
LogP-1.12
Rot. Bonds6

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

2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one (PubChem CID 62850874) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
PubChem CID62850874
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one
SMILESCS(=O)(=O)CCNCCn1ncccc1=O
InChIInChI=1S/C9H15N3O3S/c1-16(14,15)8-6-10-5-7-12-9(13)3-2-4-11-12/h2-4,10H,5-8H2,1H3
InChIKeyHDZOKNWQTBTREY-UHFFFAOYSA-N
XLogP-1.12
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.12
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 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one (CID 62850874) is 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one is CS(=O)(=O)CCNCCn1ncccc1=O.
What is the InChIKey of 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
The InChIKey is HDZOKNWQTBTREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-16(14,15)8-6-10-5-7-12-9(13)3-2-4-11-12/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one?
2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one has a molecular weight of 245.30 g/mol, XLogP of -1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfonylethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62850874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).