6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one

C6H9NO2S — CID 166892265

IUPAC6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one
SMILESO=C1NC(O)SC12CCC2
InChIInChI=1S/C6H9NO2S/c8-4-6(2-1-3-6)10-5(9)7-4/h5,9H,1-3H2,(H,7,8)
InChIKeyRMJUCJQHVWGBCO-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.05
Rot. Bonds

About 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one

6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one (PubChem CID 166892265) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one.

Molecular Properties

Compound Name6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one
PubChem CID166892265
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one
SMILESO=C1NC(O)SC12CCC2
InChIInChI=1S/C6H9NO2S/c8-4-6(2-1-3-6)10-5(9)7-4/h5,9H,1-3H2,(H,7,8)
InChIKeyRMJUCJQHVWGBCO-UHFFFAOYSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one?
The IUPAC name of 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one (CID 166892265) is 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one.
What is the SMILES notation for 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one?
The canonical SMILES for 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one is O=C1NC(O)SC12CCC2.
What is the InChIKey of 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one?
The InChIKey is RMJUCJQHVWGBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c8-4-6(2-1-3-6)10-5(9)7-4/h5,9H,1-3H2,(H,7,8).
What are the key properties of 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one?
6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one has a molecular weight of 159.21 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-thia-7-azaspiro[3.4]octan-8-one is sourced from PubChem (CID 166892265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).