N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide

C12H19N3O4S — CID 75451258

IUPACN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide
SMILESCc1n[nH]c(=O)c(CNS(=O)(=O)C2CCOCC2)c1C
InChIInChI=1S/C12H19N3O4S/c1-8-9(2)14-15-12(16)11(8)7-13-20(17,18)10-3-5-19-6-4-10/h10,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyMCQHRZLYHJXRPL-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.01
Rot. Bonds4

About N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide

N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide (PubChem CID 75451258) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide
PubChem CID75451258
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide
SMILESCc1n[nH]c(=O)c(CNS(=O)(=O)C2CCOCC2)c1C
InChIInChI=1S/C12H19N3O4S/c1-8-9(2)14-15-12(16)11(8)7-13-20(17,18)10-3-5-19-6-4-10/h10,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyMCQHRZLYHJXRPL-UHFFFAOYSA-N
XLogP-0.01
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide?
The IUPAC name of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide (CID 75451258) is N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide is Cc1n[nH]c(=O)c(CNS(=O)(=O)C2CCOCC2)c1C.
What is the InChIKey of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide?
The InChIKey is MCQHRZLYHJXRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-9(2)14-15-12(16)11(8)7-13-20(17,18)10-3-5-19-6-4-10/h10,13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide?
N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 75451258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).