6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid

C12H16N2O4S — CID 63873942

IUPAC6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O4S/c1-4-14(8-9(2)3)19(17,18)11-6-5-10(7-13-11)12(15)16/h5-7H,2,4,8H2,1,3H3,(H,15,16)
InChIKeyBBEUJPWKXDCNQP-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.37
Rot. Bonds6

About 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid

6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63873942) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63873942
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESC=C(C)CN(CC)S(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O4S/c1-4-14(8-9(2)3)19(17,18)11-6-5-10(7-13-11)12(15)16/h5-7H,2,4,8H2,1,3H3,(H,15,16)
InChIKeyBBEUJPWKXDCNQP-UHFFFAOYSA-N
XLogP1.37
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63873942) is 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid is C=C(C)CN(CC)S(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is BBEUJPWKXDCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-14(8-9(2)3)19(17,18)11-6-5-10(7-13-11)12(15)16/h5-7H,2,4,8H2,1,3H3,(H,15,16).
What are the key properties of 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63873942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).