5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid

C15H20N2O5S — CID 122119085

IUPAC5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O5S/c1-10-7-12(15(19)20)9-17(8-10)14(18)11-3-5-13(6-4-11)23(21,22)16-2/h3-6,10,12,16H,7-9H2,1-2H3,(H,19,20)
InChIKeyIZQIJRUDCHHBIO-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.78
Rot. Bonds4

About 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid

5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 122119085) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID122119085
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O5S/c1-10-7-12(15(19)20)9-17(8-10)14(18)11-3-5-13(6-4-11)23(21,22)16-2/h3-6,10,12,16H,7-9H2,1-2H3,(H,19,20)
InChIKeyIZQIJRUDCHHBIO-UHFFFAOYSA-N
XLogP0.78
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
1-(4-butylsulfonylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117138
1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119371
5-methyl-1-(4-nitrobenzoyl)piperidine-3-carboxylic acid
CID 122119619
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
5-methyl-1-[3-(prop-2-enylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119219
1-(5-iodothiophene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118299
1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid (CID 122119085) is 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid is CNS(=O)(=O)c1ccc(C(=O)N2CC(C)CC(C(=O)O)C2)cc1.
What is the InChIKey of 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is IZQIJRUDCHHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10-7-12(15(19)20)9-17(8-10)14(18)11-3-5-13(6-4-11)23(21,22)16-2/h3-6,10,12,16H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid?
5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122119085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).