4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid

C9H14N2O6S — CID 82706005

IUPAC4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOCCONS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C9H14N2O6S/c1-11-6-7(5-8(11)9(12)13)18(14,15)10-17-4-3-16-2/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyCPKIUBNNALUZPL-UHFFFAOYSA-N
MW278.29 g/mol
LogP-0.42
Rot. Bonds7

About 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid

4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 82706005) has the molecular formula C9H14N2O6S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID82706005
Molecular FormulaC9H14N2O6S
Molecular Weight278.29 g/mol
Exact Mass278.06
IUPAC Name4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCOCCONS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C9H14N2O6S/c1-11-6-7(5-8(11)9(12)13)18(14,15)10-17-4-3-16-2/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyCPKIUBNNALUZPL-UHFFFAOYSA-N
XLogP-0.42
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 115578393
4-[(2-amino-2-oxoethoxy)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 112672409
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60952297
2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82707336
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
4-[1-methoxypropan-2-yl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60950388
4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43498989
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid (CID 82706005) is 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid is COCCONS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is CPKIUBNNALUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S/c1-11-6-7(5-8(11)9(12)13)18(14,15)10-17-4-3-16-2/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid?
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 82706005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).