(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid

C15H18FNO5S — CID 125147539

IUPAC(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
SMILESC[C@H](C(=O)N1CCC[C@H](C(=O)O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO5S/c1-10(23(21,22)13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)/t10-,11+/m1/s1
InChIKeyAOSZNMOODJXLQH-MNOVXSKESA-N
MW343.38 g/mol
LogP1.31
Rot. Bonds4

About (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid

(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid (PubChem CID 125147539) has the molecular formula C15H18FNO5S and a molecular weight of 343.38 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
PubChem CID125147539
Molecular FormulaC15H18FNO5S
Molecular Weight343.38 g/mol
Exact Mass343.09
IUPAC Name(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
SMILESC[C@H](C(=O)N1CCC[C@H](C(=O)O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO5S/c1-10(23(21,22)13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)/t10-,11+/m1/s1
InChIKeyAOSZNMOODJXLQH-MNOVXSKESA-N
XLogP1.31
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid (CID 125147539) is (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid is C[C@H](C(=O)N1CCC[C@H](C(=O)O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid?
The InChIKey is AOSZNMOODJXLQH-MNOVXSKESA-N. The full InChI is InChI=1S/C15H18FNO5S/c1-10(23(21,22)13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)/t10-,11+/m1/s1.
What are the key properties of (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 125147539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).