4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H18N2O5S — CID 114277066

IUPAC4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCON(CC(C)(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H18N2O5S/c1-11(2,3)7-13(18-4)19(16,17)8-5-9(10(14)15)12-6-8/h5-6,12H,7H2,1-4H3,(H,14,15)
InChIKeyZYYWUIILZBTCHG-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.31
Rot. Bonds5

About 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 114277066) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID114277066
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCON(CC(C)(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H18N2O5S/c1-11(2,3)7-13(18-4)19(16,17)8-5-9(10(14)15)12-6-8/h5-6,12H,7H2,1-4H3,(H,14,15)
InChIKeyZYYWUIILZBTCHG-UHFFFAOYSA-N
XLogP1.31
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 114277066) is 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CON(CC(C)(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZYYWUIILZBTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-11(2,3)7-13(18-4)19(16,17)8-5-9(10(14)15)12-6-8/h5-6,12H,7H2,1-4H3,(H,14,15).
What are the key properties of 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(methoxy)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 114277066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).