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

C6H15F2N3O2S — CID 107493861

IUPAC2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane
SMILESCCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C6H15F2N3O2S/c1-2-10-14(12,13)11(4-3-9)5-6(7)8/h6,10H,2-5,9H2,1H3
InChIKeyGFHOOIPLJFKTTL-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.63
Rot. Bonds7

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

2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane (PubChem CID 107493861) has the molecular formula C6H15F2N3O2S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane
PubChem CID107493861
Molecular FormulaC6H15F2N3O2S
Molecular Weight231.27 g/mol
Exact Mass231.09
IUPAC Name2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane
SMILESCCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C6H15F2N3O2S/c1-2-10-14(12,13)11(4-3-9)5-6(7)8/h6,10H,2-5,9H2,1H3
InChIKeyGFHOOIPLJFKTTL-UHFFFAOYSA-N
XLogP-0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane?
The IUPAC name of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane (CID 107493861) is 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane?
The canonical SMILES for 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane is CCNS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane?
The InChIKey is GFHOOIPLJFKTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F2N3O2S/c1-2-10-14(12,13)11(4-3-9)5-6(7)8/h6,10H,2-5,9H2,1H3.
What are the key properties of 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane?
2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane has a molecular weight of 231.27 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane is sourced from PubChem (CID 107493861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).