8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one

C7H11NO2S — CID 79949478

IUPAC8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one
SMILESCC1CC2(COC(=O)N2)CS1
InChIInChI=1S/C7H11NO2S/c1-5-2-7(4-11-5)3-10-6(9)8-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyVOUZCBHOBUAULU-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.99
Rot. Bonds

About 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one

8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one (PubChem CID 79949478) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one
PubChem CID79949478
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one
SMILESCC1CC2(COC(=O)N2)CS1
InChIInChI=1S/C7H11NO2S/c1-5-2-7(4-11-5)3-10-6(9)8-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyVOUZCBHOBUAULU-UHFFFAOYSA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one?
The IUPAC name of 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one (CID 79949478) is 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one is CC1CC2(COC(=O)N2)CS1.
What is the InChIKey of 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one?
The InChIKey is VOUZCBHOBUAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-5-2-7(4-11-5)3-10-6(9)8-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one?
8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-oxa-7-thia-1-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 79949478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).