2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one

C17H26N4O2S — CID 91907069

IUPAC2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCCn1ncc(N2CCCC(CC(=O)N3CCSCC3)C2)cc1=O
InChIInChI=1S/C17H26N4O2S/c1-2-21-17(23)11-15(12-18-21)20-5-3-4-14(13-20)10-16(22)19-6-8-24-9-7-19/h11-12,14H,2-10,13H2,1H3
InChIKeyGUYRXQJELBIUPQ-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.45
Rot. Bonds4

About 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one

2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 91907069) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID91907069
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCCn1ncc(N2CCCC(CC(=O)N3CCSCC3)C2)cc1=O
InChIInChI=1S/C17H26N4O2S/c1-2-21-17(23)11-15(12-18-21)20-5-3-4-14(13-20)10-16(22)19-6-8-24-9-7-19/h11-12,14H,2-10,13H2,1H3
InChIKeyGUYRXQJELBIUPQ-UHFFFAOYSA-N
XLogP1.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one (CID 91907069) is 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one is CCn1ncc(N2CCCC(CC(=O)N3CCSCC3)C2)cc1=O.
What is the InChIKey of 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is GUYRXQJELBIUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-2-21-17(23)11-15(12-18-21)20-5-3-4-14(13-20)10-16(22)19-6-8-24-9-7-19/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 350.49 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91907069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).