4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine

C10H17F3N2O3S — CID 94018195

IUPAC4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O3S/c11-10(12,13)9-2-1-3-15(8-9)19(16,17)14-4-6-18-7-5-14/h9H,1-8H2/t9-/m1/s1
InChIKeyYZAVXPRMMZUIHE-SECBINFHSA-N
MW302.32 g/mol
LogP0.84
Rot. Bonds2

About 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine

4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 94018195) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
PubChem CID94018195
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC Name4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O3S/c11-10(12,13)9-2-1-3-15(8-9)19(16,17)14-4-6-18-7-5-14/h9H,1-8H2/t9-/m1/s1
InChIKeyYZAVXPRMMZUIHE-SECBINFHSA-N
XLogP0.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine (CID 94018195) is 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is YZAVXPRMMZUIHE-SECBINFHSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c11-10(12,13)9-2-1-3-15(8-9)19(16,17)14-4-6-18-7-5-14/h9H,1-8H2/t9-/m1/s1.
What are the key properties of 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine?
4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 302.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 94018195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).