morpholine;trifluoromethanesulfonamide

C5H11F3N2O3S — CID 14407644

IUPACmorpholine;trifluoromethanesulfonamide
SMILESC1COCCN1.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)
InChIKeyWVIKLSVKCLMYKC-UHFFFAOYSA-N
MW236.21 g/mol
LogP-0.60
Rot. Bonds

About morpholine;trifluoromethanesulfonamide

morpholine;trifluoromethanesulfonamide (PubChem CID 14407644) has the molecular formula C5H11F3N2O3S and a molecular weight of 236.21 g/mol. Its IUPAC name is morpholine;trifluoromethanesulfonamide.

Molecular Properties

Compound Namemorpholine;trifluoromethanesulfonamide
PubChem CID14407644
Molecular FormulaC5H11F3N2O3S
Molecular Weight236.21 g/mol
Exact Mass236.04
IUPAC Namemorpholine;trifluoromethanesulfonamide
SMILESC1COCCN1.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)
InChIKeyWVIKLSVKCLMYKC-UHFFFAOYSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholin-4-ium trifluoromethanesulphonate
CID 2778513
Morpholino(trifluoromethyl) sulfone
CID 12065824
Morpholine trifluoromethanesulfonate
CID 12065828
4-Methylmorpholin-4-ium;trifluoromethanesulfonate
CID 20262710
N-(2-Morpholinoethyl)Trifluoromethanesulfonamide
CID 20513743
N-(3-morpholinopropyl)trifluoromethanesulfonamide
CID 20532969
1,1,1-trifluoro-N-(2-morpholin-2-ylethyl)methanesulfonamide
CID 20571275
Morpholinium trifluoromethanesulfonamide
CID 21243367
N-(trifluoromethyl)morpholine-4-sulfonamide
CID 22008399
4-(Difluoromethylsulfonyl)morpholine
CID 58435985
1,1-difluoro-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 58855488
N-methyl-1-[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
CID 81685579

Frequently Asked Questions

What is the IUPAC name of morpholine;trifluoromethanesulfonamide?
The IUPAC name of morpholine;trifluoromethanesulfonamide (CID 14407644) is morpholine;trifluoromethanesulfonamide.
What is the SMILES notation for morpholine;trifluoromethanesulfonamide?
The canonical SMILES for morpholine;trifluoromethanesulfonamide is C1COCCN1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of morpholine;trifluoromethanesulfonamide?
The InChIKey is WVIKLSVKCLMYKC-UHFFFAOYSA-N. 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).
What are the key properties of morpholine;trifluoromethanesulfonamide?
morpholine;trifluoromethanesulfonamide has a molecular weight of 236.21 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;trifluoromethanesulfonamide is sourced from PubChem (CID 14407644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).