1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid

C15H21FN2O4S — CID 146092796

IUPAC1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(F)c(CN(C)S(=O)(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H21FN2O4S/c1-11-5-6-14(16)13(8-11)9-17(2)23(21,22)18-7-3-4-12(10-18)15(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyJTJCGUFOVPQZQG-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid

1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 146092796) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID146092796
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(F)c(CN(C)S(=O)(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H21FN2O4S/c1-11-5-6-14(16)13(8-11)9-17(2)23(21,22)18-7-3-4-12(10-18)15(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyJTJCGUFOVPQZQG-UHFFFAOYSA-N
XLogP1.61
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 100836381
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
CID 64510644
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125061960
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 63207417
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
ethyl (3S)-1-[(2-bromophenyl)methyl-methylsulfamoyl]piperidine-3-carboxylate
CID 51939551
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
(3S)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 78923457

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid (CID 146092796) is 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid is Cc1ccc(F)c(CN(C)S(=O)(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is JTJCGUFOVPQZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-11-5-6-14(16)13(8-11)9-17(2)23(21,22)18-7-3-4-12(10-18)15(19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 146092796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).