6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid

C9H12N2O5S — CID 98574061

IUPAC6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C9H12N2O5S/c1-6(12)4-11-17(15,16)8-3-2-7(5-10-8)9(13)14/h2-3,5-6,11-12H,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyTYXCDTXISDSWNW-ZCFIWIBFSA-N
MW260.27 g/mol
LogP-0.56
Rot. Bonds5

About 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid

6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 98574061) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
PubChem CID98574061
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C9H12N2O5S/c1-6(12)4-11-17(15,16)8-3-2-7(5-10-8)9(13)14/h2-3,5-6,11-12H,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyTYXCDTXISDSWNW-ZCFIWIBFSA-N
XLogP-0.56
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-(2,2-diethoxyethylsulfamoyl)pyridine-3-carboxylic acid
CID 79538530
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
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-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-[(2-hydroxy-2-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106290912
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid (CID 98574061) is 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid is C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is TYXCDTXISDSWNW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-6(12)4-11-17(15,16)8-3-2-7(5-10-8)9(13)14/h2-3,5-6,11-12H,4H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid?
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 98574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).