methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate

C11H15N3O4S — CID 60791668

IUPACmethyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C11H15N3O4S/c1-18-11(15)9-2-3-10(14-13-9)12-8-4-6-19(16,17)7-5-8/h2-3,8H,4-7H2,1H3,(H,12,14)
InChIKeyFACJSJPXWCHUHN-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.25
Rot. Bonds3

About methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate

methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate (PubChem CID 60791668) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
PubChem CID60791668
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C11H15N3O4S/c1-18-11(15)9-2-3-10(14-13-9)12-8-4-6-19(16,17)7-5-8/h2-3,8H,4-7H2,1H3,(H,12,14)
InChIKeyFACJSJPXWCHUHN-UHFFFAOYSA-N
XLogP0.25
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
CID 66457874
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate (CID 60791668) is methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCS(=O)(=O)CC2)nn1.
What is the InChIKey of methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate?
The InChIKey is FACJSJPXWCHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-18-11(15)9-2-3-10(14-13-9)12-8-4-6-19(16,17)7-5-8/h2-3,8H,4-7H2,1H3,(H,12,14).
What are the key properties of methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 60791668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).