(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol

C11H14FNO2S — CID 134386684

IUPAC(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1Sc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c12-7-1-3-8(4-2-7)16-10-6-13-5-9(14)11(10)15/h1-4,9-11,13-15H,5-6H2/t9-,10+,11+/m1/s1
InChIKeyHWEAWIUAJCSSMG-VWYCJHECSA-N
MW243.30 g/mol
LogP0.61
Rot. Bonds2

About (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol

(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol (PubChem CID 134386684) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol
PubChem CID134386684
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1Sc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c12-7-1-3-8(4-2-7)16-10-6-13-5-9(14)11(10)15/h1-4,9-11,13-15H,5-6H2/t9-,10+,11+/m1/s1
InChIKeyHWEAWIUAJCSSMG-VWYCJHECSA-N
XLogP0.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol 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 (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol?
The IUPAC name of (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol (CID 134386684) is (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol is O[C@H]1[C@H](O)CNC[C@@H]1Sc1ccc(F)cc1.
What is the InChIKey of (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol?
The InChIKey is HWEAWIUAJCSSMG-VWYCJHECSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-7-1-3-8(4-2-7)16-10-6-13-5-9(14)11(10)15/h1-4,9-11,13-15H,5-6H2/t9-,10+,11+/m1/s1.
What are the key properties of (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol?
(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol has a molecular weight of 243.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol is sourced from PubChem (CID 134386684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).