6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid

C13H19N3O4S — CID 63873540

IUPAC6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H19N3O4S/c1-2-16-7-3-4-11(16)9-15-21(19,20)12-6-5-10(8-14-12)13(17)18/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyZWEZQADXMZKXAI-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.54
Rot. Bonds6

About 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid

6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873540) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873540
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H19N3O4S/c1-2-16-7-3-4-11(16)9-15-21(19,20)12-6-5-10(8-14-12)13(17)18/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyZWEZQADXMZKXAI-UHFFFAOYSA-N
XLogP0.54
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511064
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
6-[(3-hydroxycyclobutyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 66005787
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
3-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-4-methoxybenzamide
CID 2966184
3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
CID 1262968
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid (CID 63873540) is 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid is CCN1CCCC1CNS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is ZWEZQADXMZKXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-16-7-3-4-11(16)9-15-21(19,20)12-6-5-10(8-14-12)13(17)18/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid?
6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).