4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C9H14N2O5S — CID 61042051

IUPAC4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCOCCN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C9H14N2O5S/c1-11(3-4-16-2)17(14,15)7-5-8(9(12)13)10-6-7/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKLDFAUUPNTETC-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.02
Rot. Bonds6

About 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 61042051) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID61042051
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCOCCN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C9H14N2O5S/c1-11(3-4-16-2)17(14,15)7-5-8(9(12)13)10-6-7/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKLDFAUUPNTETC-UHFFFAOYSA-N
XLogP-0.02
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 61042051) is 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is COCCN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is FKLDFAUUPNTETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-11(3-4-16-2)17(14,15)7-5-8(9(12)13)10-6-7/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 61042051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).