7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione

C9H13NO3S — CID 130006026

IUPAC7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione
SMILESCC1CC2(CC(C)S1)NC(=O)OC2=O
InChIInChI=1S/C9H13NO3S/c1-5-3-9(4-6(2)14-5)7(11)13-8(12)10-9/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyCDBOYFSBQSEOAK-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.30
Rot. Bonds

About 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione

7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 130006026) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione
PubChem CID130006026
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione
SMILESCC1CC2(CC(C)S1)NC(=O)OC2=O
InChIInChI=1S/C9H13NO3S/c1-5-3-9(4-6(2)14-5)7(11)13-8(12)10-9/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyCDBOYFSBQSEOAK-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate
CID 117687319
methyl (4S)-2-oxo-4-propyl-1,3-thiazolidine-4-carboxylate
CID 118967913
10-Methyl-3-oxa-9-thia-1-azaspiro[4.5]decan-2-one
CID 79951388
3-Oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione
CID 130006016

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione (CID 130006026) is 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione is CC1CC2(CC(C)S1)NC(=O)OC2=O.
What is the InChIKey of 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is CDBOYFSBQSEOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-5-3-9(4-6(2)14-5)7(11)13-8(12)10-9/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione?
7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 215.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-3-oxa-8-thia-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 130006026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).