6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid

C11H14N2O6S — CID 63874134

IUPAC6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O6S/c1-11(2,10(16)19-3)13-20(17,18)8-5-4-7(6-12-8)9(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyKFBDQQMLCXHXPO-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.01
Rot. Bonds5

About 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid

6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63874134) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63874134
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O6S/c1-11(2,10(16)19-3)13-20(17,18)8-5-4-7(6-12-8)9(14)15/h4-6,13H,1-3H3,(H,14,15)
InChIKeyKFBDQQMLCXHXPO-UHFFFAOYSA-N
XLogP0.01
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
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-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306
6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873954
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid (CID 63874134) is 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid is COC(=O)C(C)(C)NS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is KFBDQQMLCXHXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-11(2,10(16)19-3)13-20(17,18)8-5-4-7(6-12-8)9(14)15/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63874134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).