(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid

C14H19NO4S — CID 40516561

IUPAC(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-10-6-7-11(2)13(9-10)20(18,19)15-8-4-3-5-12(15)14(16)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyBFJNRCKIPBACCU-GFCCVEGCSA-N
MW297.38 g/mol
LogP1.93
Rot. Bonds3

About (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid

(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 40516561) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID40516561
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-10-6-7-11(2)13(9-10)20(18,19)15-8-4-3-5-12(15)14(16)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyBFJNRCKIPBACCU-GFCCVEGCSA-N
XLogP1.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 51888037
1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 3943095
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307385
1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrrolidine-2-carboxylic acid
CID 104937301
N'-[2-[(2S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]-N-propyloxamide
CID 7280594
2-(2-chloroethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine
CID 63397489
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
(2S)-1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 2473314
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid (CID 40516561) is (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid is Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is BFJNRCKIPBACCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10-6-7-11(2)13(9-10)20(18,19)15-8-4-3-5-12(15)14(16)17/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 40516561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).