(1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid

C8H12F2N2O4S — CID 155256106

IUPAC(1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid
SMILESNS(=O)(=O)N1CCC2(CC1)[C@@H](C(=O)O)C2(F)F
InChIInChI=1S/C8H12F2N2O4S/c9-8(10)5(6(13)14)7(8)1-3-12(4-2-7)17(11,15)16/h5H,1-4H2,(H,13,14)(H2,11,15,16)/t5-/m1/s1
InChIKeyOCZOYTPEWIVAGK-RXMQYKEDSA-N
MW270.26 g/mol
LogP-0.38
Rot. Bonds2

About (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid

(1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid (PubChem CID 155256106) has the molecular formula C8H12F2N2O4S and a molecular weight of 270.26 g/mol. Its IUPAC name is (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid
PubChem CID155256106
Molecular FormulaC8H12F2N2O4S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Name(1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid
SMILESNS(=O)(=O)N1CCC2(CC1)[C@@H](C(=O)O)C2(F)F
InChIInChI=1S/C8H12F2N2O4S/c9-8(10)5(6(13)14)7(8)1-3-12(4-2-7)17(11,15)16/h5H,1-4H2,(H,13,14)(H2,11,15,16)/t5-/m1/s1
InChIKeyOCZOYTPEWIVAGK-RXMQYKEDSA-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

Analyze (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid (CID 155256106) is (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid is NS(=O)(=O)N1CCC2(CC1)[C@@H](C(=O)O)C2(F)F.
What is the InChIKey of (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid?
The InChIKey is OCZOYTPEWIVAGK-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F2N2O4S/c9-8(10)5(6(13)14)7(8)1-3-12(4-2-7)17(11,15)16/h5H,1-4H2,(H,13,14)(H2,11,15,16)/t5-/m1/s1.
What are the key properties of (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid?
(1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-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 (1S)-2,2-difluoro-6-sulfamoyl-6-azaspiro[2.5]octane-1-carboxylic acid is sourced from PubChem (CID 155256106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).