2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide

C11H21F3N2O3S — CID 82816914

IUPAC2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C11H21F3N2O3S/c1-8(2)19-5-6-20(17,18)16-9-3-4-10(15-7-9)11(12,13)14/h8-10,15-16H,3-7H2,1-2H3
InChIKeyFYCGQVFSENDKRV-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.01
Rot. Bonds6

About 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide

2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide (PubChem CID 82816914) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
PubChem CID82816914
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C11H21F3N2O3S/c1-8(2)19-5-6-20(17,18)16-9-3-4-10(15-7-9)11(12,13)14/h8-10,15-16H,3-7H2,1-2H3
InChIKeyFYCGQVFSENDKRV-UHFFFAOYSA-N
XLogP1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The IUPAC name of 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide (CID 82816914) is 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
The InChIKey is FYCGQVFSENDKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-8(2)19-5-6-20(17,18)16-9-3-4-10(15-7-9)11(12,13)14/h8-10,15-16H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide?
2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 82816914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).