3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid

C17H20N2O4S — CID 132971759

IUPAC3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1ccc2cccc(S(=O)(=O)N3CCC(C(=O)O)C(C)C3)c2n1
InChIInChI=1S/C17H20N2O4S/c1-11-10-19(9-8-14(11)17(20)21)24(22,23)15-5-3-4-13-7-6-12(2)18-16(13)15/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)
InChIKeyZAWLZKHAQFWKAY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.27
Rot. Bonds3

About 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid

3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 132971759) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid
PubChem CID132971759
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid
SMILESCc1ccc2cccc(S(=O)(=O)N3CCC(C(=O)O)C(C)C3)c2n1
InChIInChI=1S/C17H20N2O4S/c1-11-10-19(9-8-14(11)17(20)21)24(22,23)15-5-3-4-13-7-6-12(2)18-16(13)15/h3-7,11,14H,8-10H2,1-2H3,(H,20,21)
InChIKeyZAWLZKHAQFWKAY-UHFFFAOYSA-N
XLogP2.27
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]sulfonylquinoline
CID 71973562
2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 90558898
2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
CID 90559428
4-[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257091
(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide
CID 98856378
3-cyclopropyl-5-[[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 90641756
(3S,4S)-1-(3-fluoro-2-methylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122104004
(3S,4S)-1-(2-chloro-3-methylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103888
(3S,4S)-3-hydroxy-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 135116728
(3S,4S)-1-(2-ethoxycarbonylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103747
(3S,4S)-1-(2,3-difluorophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122104080
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid (CID 132971759) is 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid is Cc1ccc2cccc(S(=O)(=O)N3CCC(C(=O)O)C(C)C3)c2n1.
What is the InChIKey of 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is ZAWLZKHAQFWKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-10-19(9-8-14(11)17(20)21)24(22,23)15-5-3-4-13-7-6-12(2)18-16(13)15/h3-7,11,14H,8-10H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid?
3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 132971759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).