(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol

C11H15NO2S — CID 139513589

IUPAC(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H15NO2S/c13-9-6-12-7-10(11(9)14)15-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11+/m1/s1
InChIKeyFFJIKUGUIHMTKK-VWYCJHECSA-N
MW225.31 g/mol
LogP0.47
Rot. Bonds2

About (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol

(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol (PubChem CID 139513589) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol
PubChem CID139513589
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H15NO2S/c13-9-6-12-7-10(11(9)14)15-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11+/m1/s1
InChIKeyFFJIKUGUIHMTKK-VWYCJHECSA-N
XLogP0.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4S,5S)-5-phenylsulfanylpiperidine-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-phenylsulfanylpiperidine-3,4-diol?
The IUPAC name of (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol (CID 139513589) is (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol?
The canonical SMILES for (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol is O[C@H]1[C@H](O)CNC[C@@H]1Sc1ccccc1.
What is the InChIKey of (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol?
The InChIKey is FFJIKUGUIHMTKK-VWYCJHECSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-9-6-12-7-10(11(9)14)15-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11+/m1/s1.
What are the key properties of (3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol?
(3R,4S,5S)-5-phenylsulfanylpiperidine-3,4-diol has a molecular weight of 225.31 g/mol, XLogP of 0.47, 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-phenylsulfanylpiperidine-3,4-diol is sourced from PubChem (CID 139513589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).