piperidine;trifluoromethanesulfonamide

C6H13F3N2O2S — CID 67134795

IUPACpiperidine;trifluoromethanesulfonamide
SMILESC1CCNCC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11N.CH2F3NO2S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h6H,1-5H2;(H2,5,6,7)
InChIKeyXPCXXSGAEUZDKI-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.55
Rot. Bonds

About piperidine;trifluoromethanesulfonamide

piperidine;trifluoromethanesulfonamide (PubChem CID 67134795) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is piperidine;trifluoromethanesulfonamide.

Molecular Properties

Compound Namepiperidine;trifluoromethanesulfonamide
PubChem CID67134795
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Namepiperidine;trifluoromethanesulfonamide
SMILESC1CCNCC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11N.CH2F3NO2S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h6H,1-5H2;(H2,5,6,7)
InChIKeyXPCXXSGAEUZDKI-UHFFFAOYSA-N
XLogP0.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine;trifluoromethanesulfonamide?
The IUPAC name of piperidine;trifluoromethanesulfonamide (CID 67134795) is piperidine;trifluoromethanesulfonamide.
What is the SMILES notation for piperidine;trifluoromethanesulfonamide?
The canonical SMILES for piperidine;trifluoromethanesulfonamide is C1CCNCC1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of piperidine;trifluoromethanesulfonamide?
The InChIKey is XPCXXSGAEUZDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2F3NO2S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h6H,1-5H2;(H2,5,6,7).
What are the key properties of piperidine;trifluoromethanesulfonamide?
piperidine;trifluoromethanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;trifluoromethanesulfonamide is sourced from PubChem (CID 67134795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).