2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine

C6H14F3N3O2S — CID 114803658

IUPAC2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
SMILESCC(C)(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(2,3-10)12-15(13,14)11-4-6(7,8)9/h11-12H,3-4,10H2,1-2H3
InChIKeyMGSHWTWCXGAFJS-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.29
Rot. Bonds5

About 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine

2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine (PubChem CID 114803658) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
PubChem CID114803658
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
SMILESCC(C)(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(2,3-10)12-15(13,14)11-4-6(7,8)9/h11-12H,3-4,10H2,1-2H3
InChIKeyMGSHWTWCXGAFJS-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Amino-2-methylpropyl)(sulfamoyl)amine hydrochloride
CID 137838176
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
N-(1-amino-2-methylpropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124180
N-(1-amino-2-methylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63194629
1,1,1-Trifluoro-3-(sulfamoylamino)butane
CID 104854746
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine
CID 114749722
2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803651
2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803679
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803693
1-Amino-2-methyl-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114803870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine (CID 114803658) is 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine is CC(C)(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The InChIKey is MGSHWTWCXGAFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-5(2,3-10)12-15(13,14)11-4-6(7,8)9/h11-12H,3-4,10H2,1-2H3.
What are the key properties of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine has a molecular weight of 249.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine is sourced from PubChem (CID 114803658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).