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

C11H13F3N2O4S — CID 134378335

IUPAC(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@](O)(CO)C1
InChIInChI=1S/C11H13F3N2O4S/c12-11(13,14)9-2-1-8(5-15-9)21(19,20)16-4-3-10(18,6-16)7-17/h1-2,5,17-18H,3-4,6-7H2/t10-/m1/s1
InChIKeyNYWFYAJHNUFDQC-SNVBAGLBSA-N
MW326.30 g/mol
LogP0.22
Rot. Bonds3

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

(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol (PubChem CID 134378335) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
PubChem CID134378335
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@](O)(CO)C1
InChIInChI=1S/C11H13F3N2O4S/c12-11(13,14)9-2-1-8(5-15-9)21(19,20)16-4-3-10(18,6-16)7-17/h1-2,5,17-18H,3-4,6-7H2/t10-/m1/s1
InChIKeyNYWFYAJHNUFDQC-SNVBAGLBSA-N
XLogP0.22
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600733
(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpyrrolidin-3-ol
CID 134378332
3-(Hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfinyl]pyrrolidin-3-ol
CID 142309433
3-(Hydroxymethyl)-1-[[5-(trifluoromethyl)-2-pyridinyl]sulfinyl]pyrrolidin-3-ol
CID 142309661
(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
[1-[(5-Fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]methanol
CID 62370616

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol (CID 134378335) is (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol is O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CC[C@](O)(CO)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
The InChIKey is NYWFYAJHNUFDQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c12-11(13,14)9-2-1-8(5-15-9)21(19,20)16-4-3-10(18,6-16)7-17/h1-2,5,17-18H,3-4,6-7H2/t10-/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol?
(3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol has a molecular weight of 326.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 134378335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).