3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine

C8H18F3N3O2S — CID 114208130

IUPAC3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCC(C)(C)C(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2,3)6(4-12)14-17(15,16)13-5-8(9,10)11/h6,13-14H,4-5,12H2,1-3H3
InChIKeySDANSUIDTZYRBR-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.35
Rot. Bonds5

About 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine

3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (PubChem CID 114208130) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
PubChem CID114208130
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCC(C)(C)C(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2,3)6(4-12)14-17(15,16)13-5-8(9,10)11/h6,13-14H,4-5,12H2,1-3H3
InChIKeySDANSUIDTZYRBR-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Dimethylsulfamoylamino)-1,1,1-trifluoro-2,2-dimethylbutane
CID 100744474
1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
N-(3,3-dimethylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide;ethane
CID 165393849
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
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
4,4-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113924872
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 114178222
2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803669

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (CID 114208130) is 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is CC(C)(C)C(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The InChIKey is SDANSUIDTZYRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-7(2,3)6(4-12)14-17(15,16)13-5-8(9,10)11/h6,13-14H,4-5,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114208130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).