6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid

C12H16N2O5S — CID 102861024

IUPAC6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(CCO)C2CCC2)nc1
InChIInChI=1S/C12H16N2O5S/c15-7-6-14(10-2-1-3-10)20(18,19)11-5-4-9(8-13-11)12(16)17/h4-5,8,10,15H,1-3,6-7H2,(H,16,17)
InChIKeyUTBAOXODFXORTO-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.32
Rot. Bonds6

About 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid

6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 102861024) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID102861024
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(CCO)C2CCC2)nc1
InChIInChI=1S/C12H16N2O5S/c15-7-6-14(10-2-1-3-10)20(18,19)11-5-4-9(8-13-11)12(16)17/h4-5,8,10,15H,1-3,6-7H2,(H,16,17)
InChIKeyUTBAOXODFXORTO-UHFFFAOYSA-N
XLogP0.32
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872606
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60950128
6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874679
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 43578756
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
5-[cyclohexyl(2-hydroxyethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951851
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
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-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid (CID 102861024) is 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N(CCO)C2CCC2)nc1.
What is the InChIKey of 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is UTBAOXODFXORTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c15-7-6-14(10-2-1-3-10)20(18,19)11-5-4-9(8-13-11)12(16)17/h4-5,8,10,15H,1-3,6-7H2,(H,16,17).
What are the key properties of 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 102861024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).