1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide

C14H20N6O2S — CID 126916698

IUPAC1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3cn(C)c(C)n3)C2)nn1
InChIInChI=1S/C14H20N6O2S/c1-10-4-5-13(18-17-10)20-7-12(8-20)6-15-23(21,22)14-9-19(3)11(2)16-14/h4-5,9,12,15H,6-8H2,1-3H3
InChIKeyRCKQHUZAZTZDCY-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.24
Rot. Bonds5

About 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide (PubChem CID 126916698) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
PubChem CID126916698
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
SMILESCc1ccc(N2CC(CNS(=O)(=O)c3cn(C)c(C)n3)C2)nn1
InChIInChI=1S/C14H20N6O2S/c1-10-4-5-13(18-17-10)20-7-12(8-20)6-15-23(21,22)14-9-19(3)11(2)16-14/h4-5,9,12,15H,6-8H2,1-3H3
InChIKeyRCKQHUZAZTZDCY-UHFFFAOYSA-N
XLogP0.24
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide (CID 126916698) is 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide is Cc1ccc(N2CC(CNS(=O)(=O)c3cn(C)c(C)n3)C2)nn1.
What is the InChIKey of 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide?
The InChIKey is RCKQHUZAZTZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-4-5-13(18-17-10)20-7-12(8-20)6-15-23(21,22)14-9-19(3)11(2)16-14/h4-5,9,12,15H,6-8H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 126916698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).