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

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Related Compounds

2-(2-{4-[(methylthio)methyl]piperidin-1-yl}-2-oxoethyl)-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72901332
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202045
2-Methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202107
2-Methyl-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202114
5-{4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}-2-propylpyridazin-3(2H)-one
CID 53202194
5-[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]-2-propylpyridazin-3(2H)-one
CID 53202229
2-Methyl-5-{3-[2-oxo-2-(4-propylpiperazin-1-YL)ethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91907013
2-Ethyl-5-{3-[2-oxo-2-(thiomorpholin-4-YL)ethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91907069
2-Ethyl-5-{3-[2-oxo-2-(piperidin-1-YL)ethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917479
2-(cyclopropylmethyl)-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917521

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).