N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O2S — CID 62665312

IUPACN-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCNCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-2-9-3-4-10-13(11,12)5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyFTRNGHQWGFBUJV-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.04
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 62665312) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID62665312
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCNCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-2-9-3-4-10-13(11,12)5(6,7)8/h9-10H,2-4H2,1H3
InChIKeyFTRNGHQWGFBUJV-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.04
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 N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 62665312) is N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is CCNCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FTRNGHQWGFBUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-2-9-3-4-10-13(11,12)5(6,7)8/h9-10H,2-4H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 62665312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).