(3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid

C12H14FNO4S — CID 40639357

IUPAC(3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C12H14FNO4S/c13-10-4-1-5-11(7-10)19(17,18)14-6-2-3-9(8-14)12(15)16/h1,4-5,7,9H,2-3,6,8H2,(H,15,16)/t9-/m0/s1
InChIKeyMHRYGEBMJKUBHB-VIFPVBQESA-N
MW287.31 g/mol
LogP1.31
Rot. Bonds3

About (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid

(3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 40639357) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
PubChem CID40639357
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name(3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C12H14FNO4S/c13-10-4-1-5-11(7-10)19(17,18)14-6-2-3-9(8-14)12(15)16/h1,4-5,7,9H,2-3,6,8H2,(H,15,16)/t9-/m0/s1
InChIKeyMHRYGEBMJKUBHB-VIFPVBQESA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(3-fluorophenyl)sulfonylpiperidine-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-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid (CID 40639357) is (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is MHRYGEBMJKUBHB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FNO4S/c13-10-4-1-5-11(7-10)19(17,18)14-6-2-3-9(8-14)12(15)16/h1,4-5,7,9H,2-3,6,8H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid?
(3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 40639357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).