2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide

C8H15F3N2O3S — CID 89425392

IUPAC2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-7(2,3)6(14)12-4-5-13-17(15,16)8(9,10)11/h13H,4-5H2,1-3H3,(H,12,14)
InChIKeyQEEFMFPKESTGNO-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.59
Rot. Bonds4

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

2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide (PubChem CID 89425392) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
PubChem CID89425392
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-7(2,3)6(14)12-4-5-13-17(15,16)8(9,10)11/h13H,4-5H2,1-3H3,(H,12,14)
InChIKeyQEEFMFPKESTGNO-UHFFFAOYSA-N
XLogP0.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.59
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 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide (CID 89425392) is 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide is CC(C)(C)C(=O)NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
The InChIKey is QEEFMFPKESTGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-7(2,3)6(14)12-4-5-13-17(15,16)8(9,10)11/h13H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide has a molecular weight of 276.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide is sourced from PubChem (CID 89425392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).