6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid

C11H14N2O6S — CID 63872614

IUPAC6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O6S/c1-2-19-10(14)5-6-13-20(17,18)9-4-3-8(7-12-9)11(15)16/h3-4,7,13H,2,5-6H2,1H3,(H,15,16)
InChIKeyXGAOFOXUDHFGJQ-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.01
Rot. Bonds7

About 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872614) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872614
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCOC(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O6S/c1-2-19-10(14)5-6-13-20(17,18)9-4-3-8(7-12-9)11(15)16/h3-4,7,13H,2,5-6H2,1H3,(H,15,16)
InChIKeyXGAOFOXUDHFGJQ-UHFFFAOYSA-N
XLogP0.01
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
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-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 86629880
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872614) is 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid is CCOC(=O)CCNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is XGAOFOXUDHFGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-2-19-10(14)5-6-13-20(17,18)9-4-3-8(7-12-9)11(15)16/h3-4,7,13H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).