(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol

C12H15F3N2O3S — CID 174959547

IUPAC(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H15F3N2O3S/c1-8(18)9-4-5-17(7-9)21(19,20)10-2-3-11(16-6-10)12(13,14)15/h2-3,6,8-9,18H,4-5,7H2,1H3/t8-,9?/m1/s1
InChIKeyDZIYVHNBJIESIM-VEDVMXKPSA-N
MW324.32 g/mol
LogP1.49
Rot. Bonds3

About (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol

(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol (PubChem CID 174959547) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
PubChem CID174959547
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H15F3N2O3S/c1-8(18)9-4-5-17(7-9)21(19,20)10-2-3-11(16-6-10)12(13,14)15/h2-3,6,8-9,18H,4-5,7H2,1H3/t8-,9?/m1/s1
InChIKeyDZIYVHNBJIESIM-VEDVMXKPSA-N
XLogP1.49
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol (CID 174959547) is (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol is C[C@@H](O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DZIYVHNBJIESIM-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-8(18)9-4-5-17(7-9)21(19,20)10-2-3-11(16-6-10)12(13,14)15/h2-3,6,8-9,18H,4-5,7H2,1H3/t8-,9?/m1/s1.
What are the key properties of (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol?
(1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol has a molecular weight of 324.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 174959547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).