N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine

C7H14F3NO2S — CID 165346498

IUPACN,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
SMILESCCN(CC)CCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-11(4-2)5-6-14(12,13)7(8,9)10/h3-6H2,1-2H3
InChIKeyOQUZGOQKTOOLJE-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.26
Rot. Bonds5

About N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine

N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine (PubChem CID 165346498) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
PubChem CID165346498
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
SMILESCCN(CC)CCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-11(4-2)5-6-14(12,13)7(8,9)10/h3-6H2,1-2H3
InChIKeyOQUZGOQKTOOLJE-UHFFFAOYSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 134244008
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
3-(diethylamino)propane-1-sulfonic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 56973050
N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
CID 106725718
3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile
CID 103722467
bis(trifluoromethylsulfonyl)azanide;N-ethyl-2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
CID 157108793
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
[ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide
CID 59046682
2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
CID 131886661

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine?
The IUPAC name of N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine (CID 165346498) is N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine is CCN(CC)CCS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine?
The InChIKey is OQUZGOQKTOOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-3-11(4-2)5-6-14(12,13)7(8,9)10/h3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine?
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine has a molecular weight of 233.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine is sourced from PubChem (CID 165346498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).