5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid

C12H19N3O4S — CID 81099217

IUPAC5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H19N3O4S/c1-3-4-7-15(2)20(18,19)14-9-10-5-6-11(12(16)17)13-8-10/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyQENQEVDUVPEICV-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.85
Rot. Bonds8

About 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099217) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099217
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)S(=O)(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C12H19N3O4S/c1-3-4-7-15(2)20(18,19)14-9-10-5-6-11(12(16)17)13-8-10/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyQENQEVDUVPEICV-UHFFFAOYSA-N
XLogP0.85
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylsulfonylbenzene
CID 39662817
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-[(octanoylamino)methyl]pyridine-2-carboxylic acid
CID 81099659
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
CID 47064925
5-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096018
5-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
CID 60982439
5-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095514

Frequently Asked Questions

What is the IUPAC name of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid (CID 81099217) is 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid is CCCCN(C)S(=O)(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is QENQEVDUVPEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-3-4-7-15(2)20(18,19)14-9-10-5-6-11(12(16)17)13-8-10/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).