2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine

C8H18F3N3O2S — CID 114803669

IUPAC2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-7(4-2,5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-6,12H2,1-2H3
InChIKeyMNIUZAMTOCWGOA-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.49
Rot. Bonds7

About 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine

2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (PubChem CID 114803669) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
PubChem CID114803669
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCCC(CC)(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-7(4-2,5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-6,12H2,1-2H3
InChIKeyMNIUZAMTOCWGOA-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-[3-(aminomethyl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 63889578
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
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
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114208130
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114803341

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (CID 114803669) is 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is CCC(CC)(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The InChIKey is MNIUZAMTOCWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-3-7(4-2,5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-6,12H2,1-2H3.
What are the key properties of 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114803669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).