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

C6H14F3N3O2S — CID 103512551

IUPAC2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
SMILESCNC(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(10-2)3-11-15(13,14)12-4-6(7,8)9/h5,10-12H,3-4H2,1-2H3
InChIKeyWPPFQMDPLRZYQY-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.42
Rot. Bonds6

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

2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine (PubChem CID 103512551) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
PubChem CID103512551
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
SMILESCNC(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(10-2)3-11-15(13,14)12-4-6(7,8)9/h5,10-12H,3-4H2,1-2H3
InChIKeyWPPFQMDPLRZYQY-UHFFFAOYSA-N
XLogP-0.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
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
3-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519451
2-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519460
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252932
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

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine (CID 103512551) is 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine is CNC(C)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The InChIKey is WPPFQMDPLRZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-5(10-2)3-11-15(13,14)12-4-6(7,8)9/h5,10-12H,3-4H2,1-2H3.
What are the key properties of 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine has a molecular weight of 249.26 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine is sourced from PubChem (CID 103512551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).