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

C14H20N2O4S — CID 60859380

IUPAC1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)N2CCCC(C(=O)O)C2)c1C
InChIInChI=1S/C14H20N2O4S/c1-10-5-3-7-13(11(10)2)15-21(19,20)16-8-4-6-12(9-16)14(17)18/h3,5,7,12,15H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyQUTYESNXAHLILK-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.76
Rot. Bonds4

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

1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60859380) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60859380
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)N2CCCC(C(=O)O)C2)c1C
InChIInChI=1S/C14H20N2O4S/c1-10-5-3-7-13(11(10)2)15-21(19,20)16-8-4-6-12(9-16)14(17)18/h3,5,7,12,15H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyQUTYESNXAHLILK-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

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Related Compounds

1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
1-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859714
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
(3S)-N-(2,3-dimethylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28566089
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60859380) is 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid is Cc1cccc(NS(=O)(=O)N2CCCC(C(=O)O)C2)c1C.
What is the InChIKey of 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is QUTYESNXAHLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-5-3-7-13(11(10)2)15-21(19,20)16-8-4-6-12(9-16)14(17)18/h3,5,7,12,15H,4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(2,3-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-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60859380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).