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

C5H13F2N3O2S — CID 107493794

IUPAC2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
SMILESCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C5H13F2N3O2S/c1-9-13(11,12)10(3-2-8)4-5(6)7/h5,9H,2-4,8H2,1H3
InChIKeyKJARFSPYWKAHFE-UHFFFAOYSA-N
MW217.24 g/mol
LogP-1.02
Rot. Bonds6

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

2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane (PubChem CID 107493794) has the molecular formula C5H13F2N3O2S and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
PubChem CID107493794
Molecular FormulaC5H13F2N3O2S
Molecular Weight217.24 g/mol
Exact Mass217.07
IUPAC Name2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
SMILESCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C5H13F2N3O2S/c1-9-13(11,12)10(3-2-8)4-5(6)7/h5,9H,2-4,8H2,1H3
InChIKeyKJARFSPYWKAHFE-UHFFFAOYSA-N
XLogP-1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 5-1.02
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-difluoroethane?
The IUPAC name of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane (CID 107493794) is 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane?
The canonical SMILES for 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane is CNS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane?
The InChIKey is KJARFSPYWKAHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13F2N3O2S/c1-9-13(11,12)10(3-2-8)4-5(6)7/h5,9H,2-4,8H2,1H3.
What are the key properties of 2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane?
2-[2-aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane has a molecular weight of 217.24 g/mol, XLogP of -1.02, 6 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-difluoroethane is sourced from PubChem (CID 107493794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).