N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide

C6H11F3N2O3S — CID 89425423

IUPACN-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-2-5(12)10-3-4-11-15(13,14)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyJJWQDGWMXXXHFS-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.05
Rot. Bonds5

About N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide

N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide (PubChem CID 89425423) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
PubChem CID89425423
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC NameN-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
SMILESCCC(=O)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-2-5(12)10-3-4-11-15(13,14)6(7,8)9/h11H,2-4H2,1H3,(H,10,12)
InChIKeyJJWQDGWMXXXHFS-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
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

1,1,1-trifluoro-N-(1-propanoylazetidin-3-yl)methanesulfonamide
CID 68220936
N-(2-(N-methylnonafluorobutanesulfonamido)ethyl)propionamide
CID 86657621
3-(2-Acetamidoethylamino)-1,1,2,2-tetrafluoro-3-oxopropane-1-sulfonic acid
CID 89032145
2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425392
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537685
2-methyl-N-[1-(trifluoromethylsulfonyl)azetidin-3-yl]propanamide
CID 117709128
N-[1-(trifluoromethylsulfonyl)azetidin-3-yl]acetamide
CID 117710540
C4F9SO2N(C2H4Nhcoc2H5)2
CID 131740799
C4F9SO2Nhc2H4nhcoc2H5
CID 131740800
N-[2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfinyl)amino]ethyl]propanamide
CID 141271273
3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide
CID 154028139
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
The IUPAC name of N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide (CID 89425423) is N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide is CCC(=O)NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
The InChIKey is JJWQDGWMXXXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-2-5(12)10-3-4-11-15(13,14)6(7,8)9/h11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide has a molecular weight of 248.23 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide is sourced from PubChem (CID 89425423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).