1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid

C14H20N2O4S — CID 23607556

IUPAC1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-15(2)21(19,20)13-5-3-12(4-6-13)16-9-7-11(8-10-16)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyUEVMYCJQHPSCIQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.24
Rot. Bonds4

About 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid

1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid (PubChem CID 23607556) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid
PubChem CID23607556
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-15(2)21(19,20)13-5-3-12(4-6-13)16-9-7-11(8-10-16)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyUEVMYCJQHPSCIQ-UHFFFAOYSA-N
XLogP1.24
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid (CID 23607556) is 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid is CN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
The InChIKey is UEVMYCJQHPSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-15(2)21(19,20)13-5-3-12(4-6-13)16-9-7-11(8-10-16)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoyl)phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 23607556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).