N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O2S — CID 63194629

IUPACN-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-4(2,3-9)10-13(11,12)5(6,7)8/h10H,3,9H2,1-2H3
InChIKeyDLXOGBPQYYOLDD-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.16
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63194629) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63194629
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-4(2,3-9)10-13(11,12)5(6,7)8/h10H,3,9H2,1-2H3
InChIKeyDLXOGBPQYYOLDD-UHFFFAOYSA-N
XLogP0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
N-(1-amino-2-methylpropan-2-yl)methanesulfonamide
CID 51975222
N-(2-amino-2-methylpropyl)methanesulfonamide
CID 54269131
N-tert-butyl-1,1,1-trifluoromethanesulfonamide
CID 54432834
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
azane;N-butyl-1,1,1-trifluoromethanesulfonamide
CID 88214043
N-[1-(aminomethyl)cyclopropyl]-1,1,1-trifluoromethanesulfonamide
CID 118692691
molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
CID 145044077
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 63194629) is N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide is CC(C)(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DLXOGBPQYYOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-4(2,3-9)10-13(11,12)5(6,7)8/h10H,3,9H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).