2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine

C8H17F3N2O2S — CID 114807269

IUPAC2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
SMILESCCC(CC)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-3-7(4-2)5-12-16(14,15)13-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyFNKQJIHATIDOFA-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.41
Rot. Bonds7

About 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine

2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine (PubChem CID 114807269) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
PubChem CID114807269
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC Name2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
SMILESCCC(CC)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-3-7(4-2)5-12-16(14,15)13-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3
InChIKeyFNKQJIHATIDOFA-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine 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

1,2,2,3,3-Pentafluoro-4-methyl-6-(sulfamoylamino)hexane
CID 53640924
1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
N-(4-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313260
1,1,1-trifluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102913073
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2,4-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637456
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114145477

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine (CID 114807269) is 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine is CCC(CC)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
The InChIKey is FNKQJIHATIDOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-3-7(4-2)5-12-16(14,15)13-6-8(9,10)11/h7,12-13H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine?
2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine has a molecular weight of 262.30 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine is sourced from PubChem (CID 114807269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).