6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid

C14H16N4O4S — CID 168792275

IUPAC6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid
SMILES[H]N=S(=O)(c1ccc(C(=O)O)cn1)c1cn(C2CCCCO2)cn1
InChIInChI=1S/C14H16N4O4S/c15-23(21,11-5-4-10(7-16-11)14(19)20)12-8-18(9-17-12)13-3-1-2-6-22-13/h4-5,7-9,13,15H,1-3,6H2,(H,19,20)
InChIKeyHFXSHCXOHUZPIE-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.14
Rot. Bonds4

About 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid

6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid (PubChem CID 168792275) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid
PubChem CID168792275
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid
SMILES[H]N=S(=O)(c1ccc(C(=O)O)cn1)c1cn(C2CCCCO2)cn1
InChIInChI=1S/C14H16N4O4S/c15-23(21,11-5-4-10(7-16-11)14(19)20)12-8-18(9-17-12)13-3-1-2-6-22-13/h4-5,7-9,13,15H,1-3,6H2,(H,19,20)
InChIKeyHFXSHCXOHUZPIE-UHFFFAOYSA-N
XLogP2.14
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
4-chloro-1-(oxan-2-yl)imidazole
CID 175285787
1-(oxan-2-yl)imidazol-4-amine
CID 170352254
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306
4-nitro-1-(oxan-2-yl)imidazole
CID 170352371
6-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)pyridine-3-carboxylic acid
CID 55251988
6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872606
6-cyclopentylpyridine-3-carboxylic acid
CID 82403519
6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 102861024
6-(1-azabicyclo[2.2.2]octan-3-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872588

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid (CID 168792275) is 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid is [H]N=S(=O)(c1ccc(C(=O)O)cn1)c1cn(C2CCCCO2)cn1.
What is the InChIKey of 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid?
The InChIKey is HFXSHCXOHUZPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c15-23(21,11-5-4-10(7-16-11)14(19)20)12-8-18(9-17-12)13-3-1-2-6-22-13/h4-5,7-9,13,15H,1-3,6H2,(H,19,20).
What are the key properties of 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid?
6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(oxan-2-yl)imidazol-4-yl]sulfonimidoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 168792275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).