6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid

C12H16N2O4S — CID 63872028

IUPAC6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O4S/c1-14(10-4-2-3-5-10)19(17,18)11-7-6-9(8-13-11)12(15)16/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyXUCWWFIMSWYEDH-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.34
Rot. Bonds4

About 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid

6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872028) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872028
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O4S/c1-14(10-4-2-3-5-10)19(17,18)11-7-6-9(8-13-11)12(15)16/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyXUCWWFIMSWYEDH-UHFFFAOYSA-N
XLogP1.34
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872028) is 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid is CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is XUCWWFIMSWYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-14(10-4-2-3-5-10)19(17,18)11-7-6-9(8-13-11)12(15)16/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).