4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H19N3O4S — CID 62546053

IUPAC4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN1CCCC(N(C)S(=O)(=O)c2c[nH]c(C(=O)O)c2)C1
InChIInChI=1S/C12H19N3O4S/c1-14-5-3-4-9(8-14)15(2)20(18,19)10-6-11(12(16)17)13-7-10/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyLLHQVJPCEFZKOV-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.43
Rot. Bonds4

About 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 62546053) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID62546053
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN1CCCC(N(C)S(=O)(=O)c2c[nH]c(C(=O)O)c2)C1
InChIInChI=1S/C12H19N3O4S/c1-14-5-3-4-9(8-14)15(2)20(18,19)10-6-11(12(16)17)13-7-10/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyLLHQVJPCEFZKOV-UHFFFAOYSA-N
XLogP0.43
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43613838
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
CID 62546054
4-[cyclobutylmethyl(2,2-difluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146137498
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43208784
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43270298
5-amino-2-bromo-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 65206502
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545781
4-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545685
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid
CID 63168236

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 62546053) is 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CN1CCCC(N(C)S(=O)(=O)c2c[nH]c(C(=O)O)c2)C1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is LLHQVJPCEFZKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-14-5-3-4-9(8-14)15(2)20(18,19)10-6-11(12(16)17)13-7-10/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 62546053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).