1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid

C15H21NO4S — CID 2770159

IUPAC1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C15H21NO4S/c1-10-8-11(2)14(12(3)9-10)21(19,20)16-6-4-13(5-7-16)15(17)18/h8-9,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyFATKZWGFYLEZOB-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid

1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 2770159) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID2770159
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C15H21NO4S/c1-10-8-11(2)14(12(3)9-10)21(19,20)16-6-4-13(5-7-16)15(17)18/h8-9,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyFATKZWGFYLEZOB-UHFFFAOYSA-N
XLogP2.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-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-(Mesitylsulfonyl)piperidine-2-carboxylic acid
CID 2770161
1-(Benzylsulfonyl)piperidine-4-carboxylic acid
CID 16776857
Ethyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
CID 818681
1-((E)-2-phenylethenesulfonyl)piperidine-4-carboxylic acid
CID 885509
1-(4-Methylbenzenesulfonyl)piperidine-3-carboxylic acid
CID 2769960
1-[(4-Ethylphenyl)sulfonyl]piperidine-4-carboxylic acid
CID 723331
1-((4-Methylphenyl)sulfonyl)-4-piperidinecarboxylic acid
CID 737840
1-(4-Cyanobenzenesulfonyl)piperidine-4-carboxylic acid
CID 7131095
Ethyl 1-[(4-ethylphenyl)sulfonyl]-4-piperidinecarboxylate
CID 593546
1-(Benzenesulfonyl)piperidine-4-carboxylic acid
CID 737718
1-[2-(4-Methylphenyl)ethenesulfonyl]piperidine-4-carboxylic acid
CID 2560409
1-[4-(Trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid
CID 846258

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid (CID 2770159) is 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is FATKZWGFYLEZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-10-8-11(2)14(12(3)9-10)21(19,20)16-6-4-13(5-7-16)15(17)18/h8-9,13H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid?
1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 2770159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).