6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid

C12H18N2O6S — CID 79538530

IUPAC6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
SMILESCCOC(CNS(=O)(=O)c1ccc(C(=O)O)cn1)OCC
InChIInChI=1S/C12H18N2O6S/c1-3-19-11(20-4-2)8-14-21(17,18)10-6-5-9(7-13-10)12(15)16/h5-7,11,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyUBYIQMFEVLTWNL-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.46
Rot. Bonds9

About 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid

6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid (PubChem CID 79538530) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
PubChem CID79538530
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
SMILESCCOC(CNS(=O)(=O)c1ccc(C(=O)O)cn1)OCC
InChIInChI=1S/C12H18N2O6S/c1-3-19-11(20-4-2)8-14-21(17,18)10-6-5-9(7-13-10)12(15)16/h5-7,11,14H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyUBYIQMFEVLTWNL-UHFFFAOYSA-N
XLogP0.46
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872227

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid (CID 79538530) is 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid is CCOC(CNS(=O)(=O)c1ccc(C(=O)O)cn1)OCC.
What is the InChIKey of 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid?
The InChIKey is UBYIQMFEVLTWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-3-19-11(20-4-2)8-14-21(17,18)10-6-5-9(7-13-10)12(15)16/h5-7,11,14H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid?
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79538530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).