morpholin-4-ium;trifluoromethanesulfonamide

C5H12F3N2O3S+ — CID 21243367

IUPACmorpholin-4-ium;trifluoromethanesulfonamide
SMILESC1COCC[NH2+]1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9NO.CH2F3NO2S/c1-3-6-4-2-5-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H2,5,6,7)/p+1
InChIKeyWVIKLSVKCLMYKC-UHFFFAOYSA-O
MW237.22 g/mol
LogP-1.63
Rot. Bonds

About morpholin-4-ium;trifluoromethanesulfonamide

morpholin-4-ium;trifluoromethanesulfonamide (PubChem CID 21243367) has the molecular formula C5H12F3N2O3S+ and a molecular weight of 237.22 g/mol. Its IUPAC name is morpholin-4-ium;trifluoromethanesulfonamide.

Molecular Properties

Compound Namemorpholin-4-ium;trifluoromethanesulfonamide
PubChem CID21243367
Molecular FormulaC5H12F3N2O3S+
Molecular Weight237.22 g/mol
Exact Mass237.05
IUPAC Namemorpholin-4-ium;trifluoromethanesulfonamide
SMILESC1COCC[NH2+]1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9NO.CH2F3NO2S/c1-3-6-4-2-5-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H2,5,6,7)/p+1
InChIKeyWVIKLSVKCLMYKC-UHFFFAOYSA-O
XLogP-1.63
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ium;trifluoromethanesulfonamide?
The IUPAC name of morpholin-4-ium;trifluoromethanesulfonamide (CID 21243367) is morpholin-4-ium;trifluoromethanesulfonamide.
What is the SMILES notation for morpholin-4-ium;trifluoromethanesulfonamide?
The canonical SMILES for morpholin-4-ium;trifluoromethanesulfonamide is C1COCC[NH2+]1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of morpholin-4-ium;trifluoromethanesulfonamide?
The InChIKey is WVIKLSVKCLMYKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO.CH2F3NO2S/c1-3-6-4-2-5-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H2,5,6,7)/p+1.
What are the key properties of morpholin-4-ium;trifluoromethanesulfonamide?
morpholin-4-ium;trifluoromethanesulfonamide has a molecular weight of 237.22 g/mol, XLogP of -1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium;trifluoromethanesulfonamide is sourced from PubChem (CID 21243367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).