4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid

C10H16N2O4S — CID 43294368

IUPAC4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H16N2O4S/c1-11-7-5-9(8-11)17(15,16)12(2)6-3-4-10(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyZAJXQSYRRZDJHK-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.51
Rot. Bonds6

About 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid

4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid (PubChem CID 43294368) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
PubChem CID43294368
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H16N2O4S/c1-11-7-5-9(8-11)17(15,16)12(2)6-3-4-10(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyZAJXQSYRRZDJHK-UHFFFAOYSA-N
XLogP0.51
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic 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-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582
4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43244916
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256
3-[methyl(1H-pyrrol-3-ylsulfonyl)amino]propanoic acid
CID 12037818
4-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]butanoic acid
CID 106605185
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
4-[(4-cyano-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 106831543
4-[[2-[benzenesulfonyl(methyl)amino]acetyl]-methylamino]butanoic acid
CID 119136438
4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
4-[[4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]sulfonyl-methylamino]butanoic acid
CID 27718147
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid (CID 43294368) is 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The InChIKey is ZAJXQSYRRZDJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-11-7-5-9(8-11)17(15,16)12(2)6-3-4-10(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid has a molecular weight of 260.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43294368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).