(2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine

C12H21F3N2O3S — CID 100838475

IUPAC(2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1
InChIInChI=1S/C12H21F3N2O3S/c1-9-6-17(7-10(2)20-9)21(18,19)16-5-3-4-11(8-16)12(13,14)15/h9-11H,3-8H2,1-2H3/t9-,10+,11-/m1/s1
InChIKeyOSJFRWSTRRHISM-OUAUKWLOSA-N
MW330.37 g/mol
LogP1.61
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine

(2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 100838475) has the molecular formula C12H21F3N2O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
PubChem CID100838475
Molecular FormulaC12H21F3N2O3S
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name(2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1
InChIInChI=1S/C12H21F3N2O3S/c1-9-6-17(7-10(2)20-9)21(18,19)16-5-3-4-11(8-16)12(13,14)15/h9-11H,3-8H2,1-2H3/t9-,10+,11-/m1/s1
InChIKeyOSJFRWSTRRHISM-OUAUKWLOSA-N
XLogP1.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine (CID 100838475) is (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine is C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is OSJFRWSTRRHISM-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H21F3N2O3S/c1-9-6-17(7-10(2)20-9)21(18,19)16-5-3-4-11(8-16)12(13,14)15/h9-11H,3-8H2,1-2H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
(2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 330.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 100838475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).