6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid

C10H14N2O4S — CID 55232021

IUPAC6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)17(15,16)12-8-5-4-7(6-11-8)9(13)14/h4-6H,1-3H3,(H,11,12)(H,13,14)
InChIKeyWISNDYORFZDKJS-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.32
Rot. Bonds3

About 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid

6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 55232021) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID55232021
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)17(15,16)12-8-5-4-7(6-11-8)9(13)14/h4-6H,1-3H3,(H,11,12)(H,13,14)
InChIKeyWISNDYORFZDKJS-UHFFFAOYSA-N
XLogP1.32
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(propylsulfonylamino)pyridine-3-carboxylic acid
CID 61318389
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189988
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61456601
6-hydrazinylpyridine-3-carboxylic acid
CID 3782617
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
N-[5-(aminomethyl)-2-pyridinyl]-2-methylpropane-2-sulfonamide
CID 63687650
6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 115273583
hydrazine;6-hydrazinylpyridine-3-carboxylic acid
CID 166604204
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid (CID 55232021) is 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid is CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is WISNDYORFZDKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)17(15,16)12-8-5-4-7(6-11-8)9(13)14/h4-6H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid?
6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylsulfonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 55232021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).