N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide

C6H11F3N2O3S — CID 108570544

IUPACN-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-2-15(13,14)11-4-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyDJJHWSCTKYDOKN-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.40
Rot. Bonds5

About N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide

N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 108570544) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide
PubChem CID108570544
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-2-15(13,14)11-4-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyDJJHWSCTKYDOKN-UHFFFAOYSA-N
XLogP-0.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.40
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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Related Compounds

N-(2-sulfamoylethyl)acetamide
CID 21989478
2-(2,2,2-Trifluoroacetamido)ethanesulfonyl chloride
CID 14028995
2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide
CID 14028996
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
CID 23401497
1-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonyl chloride
CID 54279307
N-(2-(N-methylnonafluorobutanesulfonamido)ethyl)propionamide
CID 86657621
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
C4F9SO2Nhc2H4nhcoc2H5
CID 131740800
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314
2-Oxo-2-(2,2,2-trifluoroethylamino)ethanesulfinate
CID 174803909

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide (CID 108570544) is N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide is CCS(=O)(=O)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DJJHWSCTKYDOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-2-15(13,14)11-4-3-10-5(12)6(7,8)9/h11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 248.23 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108570544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).