2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane

C6H15FN2O3S — CID 164758075

IUPAC2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CC(F)CO)S(N)(=O)=O
InChIInChI=1S/C6H15FN2O3S/c1-5(2)9(13(8,11)12)3-6(7)4-10/h5-6,10H,3-4H2,1-2H3,(H2,8,11,12)
InChIKeyCFMNJZNUEOPVOO-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.77
Rot. Bonds5

About 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane

2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane (PubChem CID 164758075) has the molecular formula C6H15FN2O3S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
PubChem CID164758075
Molecular FormulaC6H15FN2O3S
Molecular Weight214.26 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CC(F)CO)S(N)(=O)=O
InChIInChI=1S/C6H15FN2O3S/c1-5(2)9(13(8,11)12)3-6(7)4-10/h5-6,10H,3-4H2,1-2H3,(H2,8,11,12)
InChIKeyCFMNJZNUEOPVOO-UHFFFAOYSA-N
XLogP-0.77
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The IUPAC name of 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane (CID 164758075) is 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane.
What is the SMILES notation for 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The canonical SMILES for 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane is CC(C)N(CC(F)CO)S(N)(=O)=O.
What is the InChIKey of 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The InChIKey is CFMNJZNUEOPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FN2O3S/c1-5(2)9(13(8,11)12)3-6(7)4-10/h5-6,10H,3-4H2,1-2H3,(H2,8,11,12).
What are the key properties of 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane has a molecular weight of 214.26 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane is sourced from PubChem (CID 164758075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).