5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one

C15H23N3O3S — CID 71920426

IUPAC5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCS(=O)C(C)(C)C2)c1CC
InChIInChI=1S/C15H23N3O3S/c1-5-10-11(6-2)16-17-13(19)12(10)14(20)18-7-8-22(21)15(3,4)9-18/h5-9H2,1-4H3,(H,17,19)
InChIKeyDXPXEJMVOBTPKD-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.88
Rot. Bonds3

About 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one

5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 71920426) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
PubChem CID71920426
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCS(=O)C(C)(C)C2)c1CC
InChIInChI=1S/C15H23N3O3S/c1-5-10-11(6-2)16-17-13(19)12(10)14(20)18-7-8-22(21)15(3,4)9-18/h5-9H2,1-4H3,(H,17,19)
InChIKeyDXPXEJMVOBTPKD-UHFFFAOYSA-N
XLogP0.88
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one (CID 71920426) is 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C(=O)N2CCS(=O)C(C)(C)C2)c1CC.
What is the InChIKey of 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is DXPXEJMVOBTPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-5-10-11(6-2)16-17-13(19)12(10)14(20)18-7-8-22(21)15(3,4)9-18/h5-9H2,1-4H3,(H,17,19).
What are the key properties of 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 325.43 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 71920426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).