[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol

C13H16FNO4S — CID 166282149

IUPAC[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(CO)C2(COC2)C1
InChIInChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)15-5-10(6-16)13(7-15)8-19-9-13/h1-4,10,16H,5-9H2
InChIKeyPGJXVFHZIJFSLY-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.46
Rot. Bonds3

About [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol

[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol (PubChem CID 166282149) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol.

Molecular Properties

Compound Name[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
PubChem CID166282149
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CC(CO)C2(COC2)C1
InChIInChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)15-5-10(6-16)13(7-15)8-19-9-13/h1-4,10,16H,5-9H2
InChIKeyPGJXVFHZIJFSLY-UHFFFAOYSA-N
XLogP0.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol 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 [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
The IUPAC name of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol (CID 166282149) is [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol.
What is the SMILES notation for [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
The canonical SMILES for [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol is O=S(=O)(c1ccc(F)cc1)N1CC(CO)C2(COC2)C1.
What is the InChIKey of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
The InChIKey is PGJXVFHZIJFSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)15-5-10(6-16)13(7-15)8-19-9-13/h1-4,10,16H,5-9H2.
What are the key properties of [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol?
[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol has a molecular weight of 301.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol is sourced from PubChem (CID 166282149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).