1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid

C19H25FN4O6S — CID 167519386

About 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid

1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 167519386) has the molecular formula C19H25FN4O6S and a molecular weight of 456.50 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid
• PubChem CID: 167519386
• Molecular Formula: C19H25FN4O6S
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.15
• IUPAC Name: 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid
• SMILES: Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)N2CCCCC2C(=O)O)c2n[nH]c(=O)o2)c1C
• InChI: InChI=1S/C19H25FN4O6S/c1-10-7-8-13(20)15(11(10)2)12(3)16(17-21-22-19(27)30-17)23-31(28,29)24-9-5-4-6-14(24)18(25)26/h7-8,12,14,16,23H,4-6,9H2,1-3H3,(H,22,27)(H,25,26)/t12-,14?,16+/m1/s1
• InChIKey: ZPJQGSPIZASTDJ-LGKIWNRFSA-N
• XLogP: 1.74
• TPSA: 145.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid?

The IUPAC name of 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid (CID 167519386) is 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid.

What is the SMILES notation for 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid?

The canonical SMILES for 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid is Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)N2CCCCC2C(=O)O)c2n[nH]c(=O)o2)c1C.

What is the InChIKey of 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid?

The InChIKey is ZPJQGSPIZASTDJ-LGKIWNRFSA-N. The full InChI is InChI=1S/C19H25FN4O6S/c1-10-7-8-13(20)15(11(10)2)12(3)16(17-21-22-19(27)30-17)23-31(28,29)24-9-5-4-6-14(24)18(25)26/h7-8,12,14,16,23H,4-6,9H2,1-3H3,(H,22,27)(H,25,26)/t12-,14?,16+/m1/s1.

What are the key properties of 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid?

1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 456.50 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 167519386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).