2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine

C6H14F3N3O2S — CID 114803966

IUPAC2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
SMILESCC(CN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(2-10)3-11-15(13,14)12-4-6(7,8)9/h5,11-12H,2-4,10H2,1H3
InChIKeyCXHRGQSEXQYFMR-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.43
Rot. Bonds6

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

2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine (PubChem CID 114803966) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
PubChem CID114803966
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine
SMILESCC(CN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-5(2-10)3-11-15(13,14)12-4-6(7,8)9/h5,11-12H,2-4,10H2,1H3
InChIKeyCXHRGQSEXQYFMR-UHFFFAOYSA-N
XLogP-0.43
TPSA84.22 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 ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine (CID 114803966) is 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine is CC(CN)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
The InChIKey is CXHRGQSEXQYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-5(2-10)3-11-15(13,14)12-4-6(7,8)9/h5,11-12H,2-4,10H2,1H3.
What are the key properties of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine?
2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine has a molecular weight of 249.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)propane-1,3-diamine is sourced from PubChem (CID 114803966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).