1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid

C15H21NO5S — CID 120558102

IUPAC1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H21NO5S/c1-10-8-11(2)14(13(9-10)21-3)22(19,20)16-7-5-4-6-12(16)15(17)18/h8-9,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyGNMWSDAJCSIZPH-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.94
Rot. Bonds4

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

1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 120558102) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID120558102
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H21NO5S/c1-10-8-11(2)14(13(9-10)21-3)22(19,20)16-7-5-4-6-12(16)15(17)18/h8-9,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyGNMWSDAJCSIZPH-UHFFFAOYSA-N
XLogP1.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-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-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493
(2R)-1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 120606502
(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 40516561
1-(2,4,6-trifluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 60971816
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 4985773
N-(2,5-dimethoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46516965
(2S)-N-[(2-methoxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30389661
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-3-amine
CID 120705993
2-[methyl-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 119358851
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid (CID 120558102) is 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid is COc1cc(C)cc(C)c1S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is GNMWSDAJCSIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-10-8-11(2)14(13(9-10)21-3)22(19,20)16-7-5-4-6-12(16)15(17)18/h8-9,12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid?
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 327.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 120558102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).