N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide

C7H15F3N2O2S — CID 80697536

IUPACN-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-2-3-4-6(5-11)12-15(13,14)7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyFFXDACTVGXFMCE-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.94
Rot. Bonds6

About N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 80697536) has the molecular formula C7H15F3N2O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID80697536
Molecular FormulaC7H15F3N2O2S
Molecular Weight248.27 g/mol
Exact Mass248.08
IUPAC NameN-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O2S/c1-2-3-4-6(5-11)12-15(13,14)7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyFFXDACTVGXFMCE-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 80697536) is N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide is CCCCC(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FFXDACTVGXFMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O2S/c1-2-3-4-6(5-11)12-15(13,14)7(8,9)10/h6,12H,2-5,11H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 80697536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).