5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C13H17N3O5S — CID 120552033

IUPAC5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCCNS(=O)(=O)C1CCN(C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O5S/c1-2-15-22(20,21)10-5-6-16(8-10)12(17)9-3-4-11(13(18)19)14-7-9/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyRIKFVPVFGODCFG-UHFFFAOYSA-N
MW327.36 g/mol
LogP-0.07
Rot. Bonds5

About 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 120552033) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID120552033
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCCNS(=O)(=O)C1CCN(C(=O)c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H17N3O5S/c1-2-15-22(20,21)10-5-6-16(8-10)12(17)9-3-4-11(13(18)19)14-7-9/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyRIKFVPVFGODCFG-UHFFFAOYSA-N
XLogP-0.07
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
CID 79117582
N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
CID 139011765
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
N-ethyl-1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)pyrrolidine-3-sulfonamide
CID 154738206
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700
5-(4-methylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 60725146
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119139486
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
CID 120552932

Frequently Asked Questions

What is the IUPAC name of 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 120552033) is 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is CCNS(=O)(=O)C1CCN(C(=O)c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is RIKFVPVFGODCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-2-15-22(20,21)10-5-6-16(8-10)12(17)9-3-4-11(13(18)19)14-7-9/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,18,19).
What are the key properties of 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120552033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).