1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid

C14H19NO6S — CID 3240637

IUPAC1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1OC
InChIInChI=1S/C14H19NO6S/c1-20-12-7-6-10(9-13(12)21-2)22(18,19)15-8-4-3-5-11(15)14(16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyRYSZSZLUHCUXBY-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.33
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid

1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 3240637) has the molecular formula C14H19NO6S and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID3240637
Molecular FormulaC14H19NO6S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1OC
InChIInChI=1S/C14H19NO6S/c1-20-12-7-6-10(9-13(12)21-2)22(18,19)15-8-4-3-5-11(15)14(16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyRYSZSZLUHCUXBY-UHFFFAOYSA-N
XLogP1.33
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxylic acid
CID 2770162
(S)-2-{[(S)-1-(3,4-Dimethoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-hexanoic acid
CID 44324856
1-(3,4-Dimethoxybenzenesulfonyl)piperidine-4-carboxylic acid
CID 754890
N-((3,4-Dimethoxyphenyl)sulfonyl)-N-(2-phenylethyl)glycine
CID 1123805
1-(2,5-Dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 5114465
1-(3,4-Dimethoxyphenyl)sulfonylpiperidine
CID 809754
1-(3,4-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
CID 1075813
1-[(3,4-Dimethoxyphenyl)sulfonyl]proline
CID 586502
1-(4-Methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
CID 2882267
1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic Acid
CID 2960140
N-cyclohexyl-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 5191986
Cambridge id 7358933
CID 1534375

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid (CID 3240637) is 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid is COc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is RYSZSZLUHCUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6S/c1-20-12-7-6-10(9-13(12)21-2)22(18,19)15-8-4-3-5-11(15)14(16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid?
1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 3240637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).