1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid

C17H23FN2O5S — CID 119166127

IUPAC1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23FN2O5S/c1-11(2)15(16(21)20-9-7-12(8-10-20)17(22)23)19-26(24,25)14-6-4-3-5-13(14)18/h3-6,11-12,15,19H,7-10H2,1-2H3,(H,22,23)
InChIKeyQTSSXKGQIYXNRN-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid

1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid (PubChem CID 119166127) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
PubChem CID119166127
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23FN2O5S/c1-11(2)15(16(21)20-9-7-12(8-10-20)17(22)23)19-26(24,25)14-6-4-3-5-13(14)18/h3-6,11-12,15,19H,7-10H2,1-2H3,(H,22,23)
InChIKeyQTSSXKGQIYXNRN-UHFFFAOYSA-N
XLogP1.45
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 18108508
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
2-fluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586856
1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 36941048
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
CID 55345688
cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674830
cis-(1R,3S)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120677269
2-fluoro-N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 119394799
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348840
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid (CID 119166127) is 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid is CC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid?
The InChIKey is QTSSXKGQIYXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-11(2)15(16(21)20-9-7-12(8-10-20)17(22)23)19-26(24,25)14-6-4-3-5-13(14)18/h3-6,11-12,15,19H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid?
1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).