2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

C6H13F3N2O3S — CID 63828607

IUPAC2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c7-6(8,9)5-14-3-2-11-15(12,13)4-1-10/h11H,1-5,10H2
InChIKeyOCZKZWUNSODJOU-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.56
Rot. Bonds7

About 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide

2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (PubChem CID 63828607) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
PubChem CID63828607
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c7-6(8,9)5-14-3-2-11-15(12,13)4-1-10/h11H,1-5,10H2
InChIKeyOCZKZWUNSODJOU-UHFFFAOYSA-N
XLogP-0.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide (CID 63828607) is 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is NCCS(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
The InChIKey is OCZKZWUNSODJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c7-6(8,9)5-14-3-2-11-15(12,13)4-1-10/h11H,1-5,10H2.
What are the key properties of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide?
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide has a molecular weight of 250.24 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide is sourced from PubChem (CID 63828607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).