2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate

C5H10F3NO5S2 — CID 14868586

IUPAC2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate
SMILESCN(CCOS(=O)(=O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO5S2/c1-9(15(2,10)11)3-4-14-16(12,13)5(6,7)8/h3-4H2,1-2H3
InChIKeyKXDWTQWFMMTEFP-UHFFFAOYSA-N
MW285.26 g/mol
LogP-0.26
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate

2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate (PubChem CID 14868586) has the molecular formula C5H10F3NO5S2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate
PubChem CID14868586
Molecular FormulaC5H10F3NO5S2
Molecular Weight285.26 g/mol
Exact Mass285.00
IUPAC Name2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate
SMILESCN(CCOS(=O)(=O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO5S2/c1-9(15(2,10)11)3-4-14-16(12,13)5(6,7)8/h3-4H2,1-2H3
InChIKeyKXDWTQWFMMTEFP-UHFFFAOYSA-N
XLogP-0.26
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate (CID 14868586) is 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate is CN(CCOS(=O)(=O)C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate?
The InChIKey is KXDWTQWFMMTEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO5S2/c1-9(15(2,10)11)3-4-14-16(12,13)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate?
2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate has a molecular weight of 285.26 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]ethyl trifluoromethanesulfonate is sourced from PubChem (CID 14868586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).