6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid

C12H18N2O5S — CID 106142679

IUPAC6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(CCO)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O5S/c1-12(2,5-6-15)8-14-20(18,19)10-4-3-9(7-13-10)11(16)17/h3-4,7,14-15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyYTFIARSXTJTJFM-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.47
Rot. Bonds7

About 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 106142679) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID106142679
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(CCO)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H18N2O5S/c1-12(2,5-6-15)8-14-20(18,19)10-4-3-9(7-13-10)11(16)17/h3-4,7,14-15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyYTFIARSXTJTJFM-UHFFFAOYSA-N
XLogP0.47
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
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-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid (CID 106142679) is 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid is CC(C)(CCO)CNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is YTFIARSXTJTJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-12(2,5-6-15)8-14-20(18,19)10-4-3-9(7-13-10)11(16)17/h3-4,7,14-15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106142679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).