5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol

C11H13F2NO2S — CID 123974324

IUPAC5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol
SMILESOC1CNCC(Sc2cc(F)cc(F)c2)C1O
InChIInChI=1S/C11H13F2NO2S/c12-6-1-7(13)3-8(2-6)17-10-5-14-4-9(15)11(10)16/h1-3,9-11,14-16H,4-5H2
InChIKeyHPVMIIXNTDNZNP-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.75
Rot. Bonds2

About 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol

5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol (PubChem CID 123974324) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol
PubChem CID123974324
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol
SMILESOC1CNCC(Sc2cc(F)cc(F)c2)C1O
InChIInChI=1S/C11H13F2NO2S/c12-6-1-7(13)3-8(2-6)17-10-5-14-4-9(15)11(10)16/h1-3,9-11,14-16H,4-5H2
InChIKeyHPVMIIXNTDNZNP-UHFFFAOYSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol
CID 134386684
(3R,4S,5S)-5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol
CID 134386686
2-[(4-Fluorophenyl)sulfanylmethyl]piperidin-4-ol
CID 171543420
3-Hydroxypiperidin-2-yl phenyl sulfide
CID 129822562
(2S,3S,4S,5R)-2-ethenyl-5-phenylsulfanylpiperidine-3,4-diol
CID 134862218
1-(3,4-Difluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43167468
1-(2,4-Difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43167567
1-(3,4-Difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol
CID 43345189
1-(3,4-Difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
CID 43345190
1-(2,4-Difluorophenyl)sulfanyl-3-(propylamino)propan-2-ol
CID 43345492
1-(2,4-Difluorophenyl)sulfanyl-3-(ethylamino)propan-2-ol
CID 43345493
2-(3,4-Difluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393872

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol?
The IUPAC name of 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol (CID 123974324) is 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol is OC1CNCC(Sc2cc(F)cc(F)c2)C1O.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol?
The InChIKey is HPVMIIXNTDNZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-6-1-7(13)3-8(2-6)17-10-5-14-4-9(15)11(10)16/h1-3,9-11,14-16H,4-5H2.
What are the key properties of 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol?
5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol has a molecular weight of 261.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfanylpiperidine-3,4-diol is sourced from PubChem (CID 123974324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).