2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane

C5H12F3N3O2S — CID 107493881

IUPAC2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C5H12F3N3O2S/c1-10-14(12,13)11(3-2-9)4-5(6,7)8/h10H,2-4,9H2,1H3
InChIKeySJVLNVWKHNFUDD-UHFFFAOYSA-N
MW235.23 g/mol
LogP-0.73
Rot. Bonds5

About 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane

2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane (PubChem CID 107493881) has the molecular formula C5H12F3N3O2S and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
PubChem CID107493881
Molecular FormulaC5H12F3N3O2S
Molecular Weight235.23 g/mol
Exact Mass235.06
IUPAC Name2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C5H12F3N3O2S/c1-10-14(12,13)11(3-2-9)4-5(6,7)8/h10H,2-4,9H2,1H3
InChIKeySJVLNVWKHNFUDD-UHFFFAOYSA-N
XLogP-0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane (CID 107493881) is 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane is CNS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?
The InChIKey is SJVLNVWKHNFUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3N3O2S/c1-10-14(12,13)11(3-2-9)4-5(6,7)8/h10H,2-4,9H2,1H3.
What are the key properties of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane?
2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane has a molecular weight of 235.23 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 107493881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).