(2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid

C14H19NO4S — CID 26597598

IUPAC(2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid
SMILESCc1cc(S(C)(=O)=O)ccc1N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO4S/c1-10-9-11(20(2,18)19)6-7-12(10)15-8-4-3-5-13(15)14(16)17/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyAXEQXXXPDXAHCT-CYBMUJFWSA-N
MW297.38 g/mol
LogP1.84
Rot. Bonds3

About (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid

(2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid (PubChem CID 26597598) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid
PubChem CID26597598
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid
SMILESCc1cc(S(C)(=O)=O)ccc1N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C14H19NO4S/c1-10-9-11(20(2,18)19)6-7-12(10)15-8-4-3-5-13(15)14(16)17/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyAXEQXXXPDXAHCT-CYBMUJFWSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-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

(2S)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 26598161
1-(4-cyano-2-methylphenyl)pyrrolidine-2-carboxylic acid
CID 60930016
1-(2-cyano-4-methylphenyl)piperidine-2-carboxylic acid
CID 107926576
methyl 1-(4-methylsulfonylphenyl)piperidine-2-carboxylate
CID 115538364
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
4-(2-ethylazepan-1-yl)-3-methylbenzoic acid
CID 104690142
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656955
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
1-[2-(difluoromethylsulfonyl)phenyl]piperidine-2-carboxylic acid
CID 43455346
methyl 5-methylsulfonyl-2-piperidin-1-ylbenzoate
CID 59706417

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid (CID 26597598) is (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid is Cc1cc(S(C)(=O)=O)ccc1N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid?
The InChIKey is AXEQXXXPDXAHCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-9-11(20(2,18)19)6-7-12(10)15-8-4-3-5-13(15)14(16)17/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid?
(2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-4-methylsulfonylphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 26597598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).