6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C12H17N3O4S — CID 122054195

IUPAC6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCNS(=O)(=O)CC1CCCN1c1cccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O4S/c1-13-20(18,19)8-9-4-3-7-15(9)11-6-2-5-10(14-11)12(16)17/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyDAIMRGCFEJOCHI-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.30
Rot. Bonds5

About 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054195) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054195
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCNS(=O)(=O)CC1CCCN1c1cccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O4S/c1-13-20(18,19)8-9-4-3-7-15(9)11-6-2-5-10(14-11)12(16)17/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,16,17)
InChIKeyDAIMRGCFEJOCHI-UHFFFAOYSA-N
XLogP0.30
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
CID 117092889
6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053185
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 167808639
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053434
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117088422
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
1-[1-(4-cyano-2-fluorophenyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71976834

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122054195) is 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is CNS(=O)(=O)CC1CCCN1c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is DAIMRGCFEJOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-13-20(18,19)8-9-4-3-7-15(9)11-6-2-5-10(14-11)12(16)17/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,16,17).
What are the key properties of 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylsulfamoylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).