N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide

C10H21F3N2O2S — CID 121432266

IUPACN-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CCCC(C)N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-9(6-4-5-8(2)14)7-15-18(16,17)10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeyCVZSPFZBJRAADL-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.97
Rot. Bonds8

About N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide

N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 121432266) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID121432266
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(CCCC(C)N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-9(6-4-5-8(2)14)7-15-18(16,17)10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeyCVZSPFZBJRAADL-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide (CID 121432266) is N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide is CCC(CCCC(C)N)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is CVZSPFZBJRAADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-3-9(6-4-5-8(2)14)7-15-18(16,17)10(11,12)13/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide?
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 121432266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).