1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide

C5H11F3N2O2S — CID 123946453

IUPAC1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
SMILESCNCCNS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C5H11F3N2O2S/c1-9-2-3-10-13(11,12)5(7,8)4-6/h9-10H,2-4H2,1H3
InChIKeyGAAWRTYAULGUSJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.31
Rot. Bonds6

About 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide

1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide (PubChem CID 123946453) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
PubChem CID123946453
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
SMILESCNCCNS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C5H11F3N2O2S/c1-9-2-3-10-13(11,12)5(7,8)4-6/h9-10H,2-4H2,1H3
InChIKeyGAAWRTYAULGUSJ-UHFFFAOYSA-N
XLogP-0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
The IUPAC name of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide (CID 123946453) is 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
The canonical SMILES for 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide is CNCCNS(=O)(=O)C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
The InChIKey is GAAWRTYAULGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-9-2-3-10-13(11,12)5(7,8)4-6/h9-10H,2-4H2,1H3.
What are the key properties of 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide?
1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 123946453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).