4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid

C8H12F2N2O4S — CID 151353662

IUPAC4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESNS(=O)(=O)N1CCC2(CC2C(=O)O)C(F)(F)C1
InChIInChI=1S/C8H12F2N2O4S/c9-8(10)4-12(17(11,15)16)2-1-7(8)3-5(7)6(13)14/h5H,1-4H2,(H,13,14)(H2,11,15,16)
InChIKeyONAASISLLVULAL-UHFFFAOYSA-N
MW270.26 g/mol
LogP-0.38
Rot. Bonds2

About 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid

4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 151353662) has the molecular formula C8H12F2N2O4S and a molecular weight of 270.26 g/mol. Its IUPAC name is 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID151353662
Molecular FormulaC8H12F2N2O4S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Name4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESNS(=O)(=O)N1CCC2(CC2C(=O)O)C(F)(F)C1
InChIInChI=1S/C8H12F2N2O4S/c9-8(10)4-12(17(11,15)16)2-1-7(8)3-5(7)6(13)14/h5H,1-4H2,(H,13,14)(H2,11,15,16)
InChIKeyONAASISLLVULAL-UHFFFAOYSA-N
XLogP-0.38
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 151353662) is 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid is NS(=O)(=O)N1CCC2(CC2C(=O)O)C(F)(F)C1.
What is the InChIKey of 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is ONAASISLLVULAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O4S/c9-8(10)4-12(17(11,15)16)2-1-7(8)3-5(7)6(13)14/h5H,1-4H2,(H,13,14)(H2,11,15,16).
What are the key properties of 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 151353662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).