6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid

C11H14N2O5S — CID 66005787

IUPAC6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CC(O)C2)nc1
InChIInChI=1S/C11H14N2O5S/c14-9-3-7(4-9)5-13-19(17,18)10-2-1-8(6-12-10)11(15)16/h1-2,6-7,9,13-14H,3-5H2,(H,15,16)
InChIKeyQVKRYQPPSJCFAA-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.17
Rot. Bonds5

About 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid

6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 66005787) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID66005787
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2CC(O)C2)nc1
InChIInChI=1S/C11H14N2O5S/c14-9-3-7(4-9)5-13-19(17,18)10-2-1-8(6-12-10)11(15)16/h1-2,6-7,9,13-14H,3-5H2,(H,15,16)
InChIKeyQVKRYQPPSJCFAA-UHFFFAOYSA-N
XLogP-0.17
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoic acid
CID 66006224
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873540
6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874696
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[(2-hydroxyphenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 114331356
6-(pyridin-3-ylmethylsulfamoyl)pyridine-3-carboxylic acid
CID 63872025
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
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-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid (CID 66005787) is 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC2CC(O)C2)nc1.
What is the InChIKey of 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is QVKRYQPPSJCFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-9-3-7(4-9)5-13-19(17,18)10-2-1-8(6-12-10)11(15)16/h1-2,6-7,9,13-14H,3-5H2,(H,15,16).
What are the key properties of 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid?
6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 66005787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).