4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid

C11H16N2O4S — CID 167824866

IUPAC4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
SMILESCC(C)S(=O)(=O)CCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-8(2)18(16,17)6-5-12-9-3-4-13-10(7-9)11(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDGCASOGIGJHDIG-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.01
Rot. Bonds6

About 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid

4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid (PubChem CID 167824866) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
PubChem CID167824866
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
SMILESCC(C)S(=O)(=O)CCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-8(2)18(16,17)6-5-12-9-3-4-13-10(7-9)11(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyDGCASOGIGJHDIG-UHFFFAOYSA-N
XLogP1.01
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 55219505
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
4-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methylamino]pyridine-2-carboxylic acid
CID 167944110
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid (CID 167824866) is 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid is CC(C)S(=O)(=O)CCNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid?
The InChIKey is DGCASOGIGJHDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(2)18(16,17)6-5-12-9-3-4-13-10(7-9)11(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid?
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 167824866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).