1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid

C14H20N2O4S — CID 713101

IUPAC1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-15(2)21(19,20)16-10-8-14(9-11-16,13(17)18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18)
InChIKeyPBFGMKHJOQPXCP-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.91
Rot. Bonds4

About 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid

1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 713101) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID713101
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-15(2)21(19,20)16-10-8-14(9-11-16,13(17)18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18)
InChIKeyPBFGMKHJOQPXCP-UHFFFAOYSA-N
XLogP0.91
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid (CID 713101) is 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid is CN(C)S(=O)(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is PBFGMKHJOQPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-15(2)21(19,20)16-10-8-14(9-11-16,13(17)18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18).
What are the key properties of 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 713101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).