6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid

C11H15N3O5S — CID 106275719

IUPAC6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(C(=O)O)cn1)C(N)=O
InChIInChI=1S/C11H15N3O5S/c1-11(2,10(12)17)6-14-20(18,19)8-4-3-7(5-13-8)9(15)16/h3-5,14H,6H2,1-2H3,(H2,12,17)(H,15,16)
InChIKeyQHFPJIAQGPMUDF-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.43
Rot. Bonds6

About 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 106275719) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID106275719
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(C(=O)O)cn1)C(N)=O
InChIInChI=1S/C11H15N3O5S/c1-11(2,10(12)17)6-14-20(18,19)8-4-3-7(5-13-8)9(15)16/h3-5,14H,6H2,1-2H3,(H2,12,17)(H,15,16)
InChIKeyQHFPJIAQGPMUDF-UHFFFAOYSA-N
XLogP-0.43
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-hydroxy-2,2-dimethylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106142679
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-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 66090839
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid (CID 106275719) is 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid is CC(C)(CNS(=O)(=O)c1ccc(C(=O)O)cn1)C(N)=O.
What is the InChIKey of 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is QHFPJIAQGPMUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-11(2,10(12)17)6-14-20(18,19)8-4-3-7(5-13-8)9(15)16/h3-5,14H,6H2,1-2H3,(H2,12,17)(H,15,16).
What are the key properties of 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106275719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).