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

C16H24N4O2S — CID 91917423

IUPAC2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(CC(=O)N3CCSCC3)C2)cc1=O
InChIInChI=1S/C16H24N4O2S/c1-18-15(21)10-14(11-17-18)20-4-2-3-13(12-20)9-16(22)19-5-7-23-8-6-19/h10-11,13H,2-9,12H2,1H3
InChIKeyBXMXMAKWBDYGOP-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.96
Rot. Bonds3

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

2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 91917423) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID91917423
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(CC(=O)N3CCSCC3)C2)cc1=O
InChIInChI=1S/C16H24N4O2S/c1-18-15(21)10-14(11-17-18)20-4-2-3-13(12-20)9-16(22)19-5-7-23-8-6-19/h10-11,13H,2-9,12H2,1H3
InChIKeyBXMXMAKWBDYGOP-UHFFFAOYSA-N
XLogP0.96
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-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-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one (CID 91917423) is 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one is Cn1ncc(N2CCCC(CC(=O)N3CCSCC3)C2)cc1=O.
What is the InChIKey of 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is BXMXMAKWBDYGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-18-15(21)10-14(11-17-18)20-4-2-3-13(12-20)9-16(22)19-5-7-23-8-6-19/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 336.46 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 2-methyl-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).