3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine

C8H18F3N3O2S — CID 106165470

IUPAC3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-7(2,4-5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-6,12H2,1-2H3
InChIKeyGTKCRIMBASNGLK-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.49
Rot. Bonds7

About 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine

3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine (PubChem CID 106165470) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
PubChem CID106165470
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-7(2,4-5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-6,12H2,1-2H3
InChIKeyGTKCRIMBASNGLK-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

N-(1-amino-3-methylpentan-3-yl)-1,1-difluoromethanesulfonamide
CID 106165343
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
2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114150922
N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 114152600
2,2-diethyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
CID 114164159
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 114178208
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
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine (CID 106165470) is 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine is CCC(C)(CCN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The InChIKey is GTKCRIMBASNGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-3-7(2,4-5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-6,12H2,1-2H3.
What are the key properties of 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-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 3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine is sourced from PubChem (CID 106165470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).