9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione

C10H15NO2S — CID 130007165

IUPAC9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCC2(CC1)CC(=O)NC(=O)S2
InChIInChI=1S/C10H15NO2S/c1-7-2-4-10(5-3-7)6-8(12)11-9(13)14-10/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyANWUCUWUAZWAKQ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.31
Rot. Bonds

About 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione

9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 130007165) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID130007165
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCC2(CC1)CC(=O)NC(=O)S2
InChIInChI=1S/C10H15NO2S/c1-7-2-4-10(5-3-7)6-8(12)11-9(13)14-10/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyANWUCUWUAZWAKQ-UHFFFAOYSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione (CID 130007165) is 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione is CC1CCC2(CC1)CC(=O)NC(=O)S2.
What is the InChIKey of 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is ANWUCUWUAZWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-2-4-10(5-3-7)6-8(12)11-9(13)14-10/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione?
9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 213.30 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-thia-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 130007165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).