2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine

C8H18F3N3O2S — CID 114811184

IUPAC2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine
SMILESCCCCC(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-2-3-4-7(5-12)14-17(15,16)13-6-8(9,10)11/h7,13-14H,2-6,12H2,1H3
InChIKeyBJUSJPCIJHGBQI-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.49
Rot. Bonds8

About 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine

2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine (PubChem CID 114811184) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine
PubChem CID114811184
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine
SMILESCCCCC(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-2-3-4-7(5-12)14-17(15,16)13-6-8(9,10)11/h7,13-14H,2-6,12H2,1H3
InChIKeyBJUSJPCIJHGBQI-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 65193226
N-(1-aminohexan-2-yl)-1,1-difluoromethanesulfonamide
CID 80696548
N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 80697536
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
CID 106125687
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 113637358
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
4,4-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113924872
N'-(2,2,2-trifluoroethylsulfamoyl)hexane-1,6-diamine
CID 114008122
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803679

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine (CID 114811184) is 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine is CCCCC(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine?
The InChIKey is BJUSJPCIJHGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-2-3-4-7(5-12)14-17(15,16)13-6-8(9,10)11/h7,13-14H,2-6,12H2,1H3.
What are the key properties of 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine?
2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethylsulfamoyl)hexane-1,2-diamine is sourced from PubChem (CID 114811184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).