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

C7H15F3N2O2S — CID 63889721

IUPACN-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-5(2)3-6(4-11)12-15(13,14)7(8,9)10/h5-6,12H,3-4,11H2,1-2H3
InChIKeyYUYGSTHAIBFSCA-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.80
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63889721) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63889721
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-5(2)3-6(4-11)12-15(13,14)7(8,9)10/h5-6,12H,3-4,11H2,1-2H3
InChIKeyYUYGSTHAIBFSCA-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 63889721) is N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide is CC(C)CC(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YUYGSTHAIBFSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-5(2)3-6(4-11)12-15(13,14)7(8,9)10/h5-6,12H,3-4,11H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63889721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).