1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

C6H14F3N3O2S — CID 114804043

IUPAC1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCC(CN)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(3-10)12(2)15(13,14)11-4-6(7,8)9/h5,11H,3-4,10H2,1-2H3
InChIKeyLJGUWEWBVFOVCO-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.34
Rot. Bonds5

About 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane

1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (PubChem CID 114804043) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.

Molecular Properties

Compound Name1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
PubChem CID114804043
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
SMILESCC(CN)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(3-10)12(2)15(13,14)11-4-6(7,8)9/h5,11H,3-4,10H2,1-2H3
InChIKeyLJGUWEWBVFOVCO-UHFFFAOYSA-N
XLogP-0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
2-[Difluoromethyl(sulfamoyl)amino]propane
CID 164757955
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 61351057
1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62663893
N-(2-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 63767532
N-(1-aminopropan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 64414501
1,1,1-Trifluoro-2-[methyl(sulfamoyl)amino]propane
CID 66570561
(2R)-1,1,1-trifluoro-2-[methyl(sulfamoyl)amino]propane
CID 66570562

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The IUPAC name of 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane (CID 114804043) is 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane.
What is the SMILES notation for 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The canonical SMILES for 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is CC(CN)N(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
The InChIKey is LJGUWEWBVFOVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-5(3-10)12(2)15(13,14)11-4-6(7,8)9/h5,11H,3-4,10H2,1-2H3.
What are the key properties of 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane?
1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane has a molecular weight of 249.26 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane is sourced from PubChem (CID 114804043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).