4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C10H16N2O4S — CID 61167038

IUPAC4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H16N2O4S/c1-10(2,3)6-12-17(15,16)7-4-8(9(13)14)11-5-7/h4-5,11-12H,6H2,1-3H3,(H,13,14)
InChIKeyDEYGBTQQDOUDJV-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.04
Rot. Bonds4

About 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 61167038) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID61167038
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H16N2O4S/c1-10(2,3)6-12-17(15,16)7-4-8(9(13)14)11-5-7/h4-5,11-12H,6H2,1-3H3,(H,13,14)
InChIKeyDEYGBTQQDOUDJV-UHFFFAOYSA-N
XLogP1.04
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 66186719
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-[(2-carboxy-1,1,1-trifluoropropan-2-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167770557
4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 30055975
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61009733
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 61167038) is 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid is CC(C)(C)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is DEYGBTQQDOUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-10(2,3)6-12-17(15,16)7-4-8(9(13)14)11-5-7/h4-5,11-12H,6H2,1-3H3,(H,13,14).
What are the key properties of 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 61167038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).