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

C7H17F2N3O2S — CID 114383992

IUPAC1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H17F2N3O2S/c1-6(2)12(3)15(13,14)11-5-7(8,9)4-10/h6,11H,4-5,10H2,1-3H3
InChIKeyKOQKMMSSMHGLEE-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.25
Rot. Bonds6

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

1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (PubChem CID 114383992) has the molecular formula C7H17F2N3O2S and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
PubChem CID114383992
Molecular FormulaC7H17F2N3O2S
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C7H17F2N3O2S/c1-6(2)12(3)15(13,14)11-5-7(8,9)4-10/h6,11H,4-5,10H2,1-3H3
InChIKeyKOQKMMSSMHGLEE-UHFFFAOYSA-N
XLogP-0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The IUPAC name of 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane (CID 114383992) is 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane.
What is the SMILES notation for 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The canonical SMILES for 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is CC(C)N(C)S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
The InChIKey is KOQKMMSSMHGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F2N3O2S/c1-6(2)12(3)15(13,14)11-5-7(8,9)4-10/h6,11H,4-5,10H2,1-3H3.
What are the key properties of 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane?
1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane has a molecular weight of 245.29 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-difluoro-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane is sourced from PubChem (CID 114383992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).