1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid

C14H20N2O4S — CID 60858070

IUPAC1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C)c(NS(=O)(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-10-5-6-11(2)13(8-10)15-21(19,20)16-7-3-4-12(9-16)14(17)18/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyVJIGGRQHGDJVSU-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.76
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60858070) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60858070
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(C)c(NS(=O)(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-10-5-6-11(2)13(8-10)15-21(19,20)16-7-3-4-12(9-16)14(17)18/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyVJIGGRQHGDJVSU-UHFFFAOYSA-N
XLogP1.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-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

1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-[3-methyl-4-(methylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120660318
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-3-carboxylic acid
CID 45475685
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 49457529
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60858070) is 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid is Cc1ccc(C)c(NS(=O)(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is VJIGGRQHGDJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-5-6-11(2)13(8-10)15-21(19,20)16-7-3-4-12(9-16)14(17)18/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60858070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).