2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid

C10H13N3O5S — CID 106334730

IUPAC2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCNS(=O)(=O)CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-11-19(17,18)6-5-13-9(14)8-7(10(15)16)3-2-4-12-8/h2-4,11H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyNUYNGXIXNDKKPB-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.94
Rot. Bonds6

About 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid

2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 106334730) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID106334730
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCNS(=O)(=O)CCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C10H13N3O5S/c1-11-19(17,18)6-5-13-9(14)8-7(10(15)16)3-2-4-12-8/h2-4,11H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyNUYNGXIXNDKKPB-UHFFFAOYSA-N
XLogP-0.94
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 106334730) is 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid is CNS(=O)(=O)CCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NUYNGXIXNDKKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-11-19(17,18)6-5-13-9(14)8-7(10(15)16)3-2-4-12-8/h2-4,11H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid?
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 287.30 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106334730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).