N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide

C8H17F3N2O2S — CID 115309892

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-6(2)4-7(3,5-12)13-16(14,15)8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyGEBRNGHUGJMHRO-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.19
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 115309892) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID115309892
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-6(2)4-7(3,5-12)13-16(14,15)8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyGEBRNGHUGJMHRO-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 115309892) is N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GEBRNGHUGJMHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-6(2)4-7(3,5-12)13-16(14,15)8(9,10)11/h6,13H,4-5,12H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 262.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 115309892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).