3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol

C11H13F3N2O3S — CID 142309433

IUPAC3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol
SMILESO=S(c1ccc(C(F)(F)F)nc1)N1CCC(O)(CO)C1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)9-2-1-8(5-15-9)20(19)16-4-3-10(18,6-16)7-17/h1-2,5,17-18H,3-4,6-7H2
InChIKeyMJFDOGOMJALDJJ-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.55
Rot. Bonds3

About 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol

3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol (PubChem CID 142309433) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol
PubChem CID142309433
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol
SMILESO=S(c1ccc(C(F)(F)F)nc1)N1CCC(O)(CO)C1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)9-2-1-8(5-15-9)20(19)16-4-3-10(18,6-16)7-17/h1-2,5,17-18H,3-4,6-7H2
InChIKeyMJFDOGOMJALDJJ-UHFFFAOYSA-N
XLogP0.55
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 129398349
(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpyrrolidin-3-ol
CID 134378332
(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 134378335
3-(Hydroxymethyl)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]pyrrolidin-3-ol
CID 142309661
1-(2,4-Dichlorophenyl)sulfinyl-3-(hydroxymethyl)pyrrolidin-3-ol;6-(trifluoromethyl)pyridine-3-thiol
CID 142309789
(3S)-3-(aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 156567138
3-(Aminomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 156567140
1-[[6-(difluoromethyl)-3-pyridinyl]sulfonyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-3-ol
CID 156567181
1-[[5-(difluoromethyl)-2-pyridinyl]sulfinyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-3-ol
CID 156567194
(3R)-1-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 156567214
1-[[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 156567215
(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
CID 174959547

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol (CID 142309433) is 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol is O=S(c1ccc(C(F)(F)F)nc1)N1CCC(O)(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol?
The InChIKey is MJFDOGOMJALDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)9-2-1-8(5-15-9)20(19)16-4-3-10(18,6-16)7-17/h1-2,5,17-18H,3-4,6-7H2.
What are the key properties of 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol?
3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol has a molecular weight of 310.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol is sourced from PubChem (CID 142309433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).