N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide

C11H23F3N2O2S — CID 45277206

IUPACN-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCNCCCCCCN(CC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-15-9-7-5-6-8-10-16(4-2)19(17,18)11(12,13)14/h15H,3-10H2,1-2H3
InChIKeyASXXNUGCLOPULY-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.33
Rot. Bonds10

About N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide

N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 45277206) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID45277206
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCNCCCCCCN(CC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-15-9-7-5-6-8-10-16(4-2)19(17,18)11(12,13)14/h15H,3-10H2,1-2H3
InChIKeyASXXNUGCLOPULY-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide (CID 45277206) is N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide is CCNCCCCCCN(CC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ASXXNUGCLOPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-3-15-9-7-5-6-8-10-16(4-2)19(17,18)11(12,13)14/h15H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide?
N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[6-(ethylamino)hexyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 45277206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).