N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C5H8F6N2O4S2 — CID 126606283

IUPACN-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(N)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F6N2O4S2/c1-3(2,12)13(18(14,15)4(6,7)8)19(16,17)5(9,10)11/h12H2,1-2H3
InChIKeyUFQYDYWHTOASHT-UHFFFAOYSA-N
MW338.25 g/mol
LogP0.68
Rot. Bonds3

About N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 126606283) has the molecular formula C5H8F6N2O4S2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID126606283
Molecular FormulaC5H8F6N2O4S2
Molecular Weight338.25 g/mol
Exact Mass337.98
IUPAC NameN-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(C)(N)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F6N2O4S2/c1-3(2,12)13(18(14,15)4(6,7)8)19(16,17)5(9,10)11/h12H2,1-2H3
InChIKeyUFQYDYWHTOASHT-UHFFFAOYSA-N
XLogP0.68
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 126606283) is N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CC(C)(N)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is UFQYDYWHTOASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F6N2O4S2/c1-3(2,12)13(18(14,15)4(6,7)8)19(16,17)5(9,10)11/h12H2,1-2H3.
What are the key properties of N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 338.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 126606283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).