1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane

C7H16F2N2O3S — CID 103836838

IUPAC1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H16F2N2O3S/c1-5(2)11(3)15(13,14)10-4-6(12)7(8)9/h5-7,10,12H,4H2,1-3H3
InChIKeyHLDGIDMLWYSNHM-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.21
Rot. Bonds6

About 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane

1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (PubChem CID 103836838) has the molecular formula C7H16F2N2O3S and a molecular weight of 246.28 g/mol. Its IUPAC name is 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
PubChem CID103836838
Molecular FormulaC7H16F2N2O3S
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H16F2N2O3S/c1-5(2)11(3)15(13,14)10-4-6(12)7(8)9/h5-7,10,12H,4H2,1-3H3
InChIKeyHLDGIDMLWYSNHM-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The IUPAC name of 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (CID 103836838) is 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.
What is the SMILES notation for 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The canonical SMILES for 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is CC(C)N(C)S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The InChIKey is HLDGIDMLWYSNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O3S/c1-5(2)11(3)15(13,14)10-4-6(12)7(8)9/h5-7,10,12H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane has a molecular weight of 246.28 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is sourced from PubChem (CID 103836838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).