2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one

C15H22N4O2S — CID 53202107

IUPAC2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCC(C(=O)N3CCSCC3)CC2)cc1=O
InChIInChI=1S/C15H22N4O2S/c1-17-14(20)10-13(11-16-17)18-4-2-12(3-5-18)15(21)19-6-8-22-9-7-19/h10-12H,2-9H2,1H3
InChIKeyIAZSHOOBOCQFLR-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.57
Rot. Bonds2

About 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one

2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 53202107) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
PubChem CID53202107
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCC(C(=O)N3CCSCC3)CC2)cc1=O
InChIInChI=1S/C15H22N4O2S/c1-17-14(20)10-13(11-16-17)18-4-2-12(3-5-18)15(21)19-6-8-22-9-7-19/h10-12H,2-9H2,1H3
InChIKeyIAZSHOOBOCQFLR-UHFFFAOYSA-N
XLogP0.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one (CID 53202107) is 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one is Cn1ncc(N2CCC(C(=O)N3CCSCC3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is IAZSHOOBOCQFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-17-14(20)10-13(11-16-17)18-4-2-12(3-5-18)15(21)19-6-8-22-9-7-19/h10-12H,2-9H2,1H3.
What are the key properties of 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 322.43 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53202107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).