8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol

C13H15NOS — CID 11345323

IUPAC8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(c2ccccc2)SC12CC2
InChIInChI=1S/C13H15NOS/c1-9-11(15)14-12(16-13(9)7-8-13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3
InChIKeyDRJVKWWLKRNHSH-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.67
Rot. Bonds1

About 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol

8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol (PubChem CID 11345323) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol.

Molecular Properties

Compound Name8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol
PubChem CID11345323
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(c2ccccc2)SC12CC2
InChIInChI=1S/C13H15NOS/c1-9-11(15)14-12(16-13(9)7-8-13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3
InChIKeyDRJVKWWLKRNHSH-UHFFFAOYSA-N
XLogP2.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol?
The IUPAC name of 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol (CID 11345323) is 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol.
What is the SMILES notation for 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol?
The canonical SMILES for 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol is CC1C(O)N=C(c2ccccc2)SC12CC2.
What is the InChIKey of 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol?
The InChIKey is DRJVKWWLKRNHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-11(15)14-12(16-13(9)7-8-13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3.
What are the key properties of 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol?
8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol has a molecular weight of 233.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol is sourced from PubChem (CID 11345323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).