1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane

C8H19F2N3O2S — CID 107493829

IUPAC1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H19F2N3O2S/c1-7(2)5-12-16(14,15)13(4-3-11)6-8(9)10/h7-8,12H,3-6,11H2,1-2H3
InChIKeyFIGQTUICHVFUKS-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.00
Rot. Bonds8

About 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane

1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane (PubChem CID 107493829) has the molecular formula C8H19F2N3O2S and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane
PubChem CID107493829
Molecular FormulaC8H19F2N3O2S
Molecular Weight259.32 g/mol
Exact Mass259.12
IUPAC Name1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H19F2N3O2S/c1-7(2)5-12-16(14,15)13(4-3-11)6-8(9)10/h7-8,12H,3-6,11H2,1-2H3
InChIKeyFIGQTUICHVFUKS-UHFFFAOYSA-N
XLogP0.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane?
The IUPAC name of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane (CID 107493829) is 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane is CC(C)CNS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is FIGQTUICHVFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19F2N3O2S/c1-7(2)5-12-16(14,15)13(4-3-11)6-8(9)10/h7-8,12H,3-6,11H2,1-2H3.
What are the key properties of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane?
1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 259.32 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane is sourced from PubChem (CID 107493829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).