3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one

HCID 641990

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Basic information

CAS: 220162-67-4
Standard SMILES: CSC1=NC(C)(C)CC12C=CC(=O)C=C2
InChIKey: KPVFPILHEWPNLU-UHFFFAOYSA-N
Molecular formula: C12H15NOS
Average molar mass: 221.32 g/mol
Monoisotopic mass: 221.08743528

Names & identifiers

Preferred name: 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one
IUPAC: 3,3-dimethyl-1-methylsulfanyl-2-azaspiro[4.5]deca-1,6,9-trien-8-one

Names & synonyms

3,3-dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one220162-67-42-azaspiro[4.5]deca-1,6,9-trien-8-one, 3,3-dimethyl-1-(methylthio)-2-azaspiro(4.5)deca-1,6,9-trien-8-one, 3,3-dimethyl-1-(methylthio)-3,3-Dimethyl-1-(methylthio)-2-azaspiro(4.5)deca-1,6,9-trien-8-oneRefChem:270348InChI=1/C12H15NOS/c1-11(2)8-12(10(13-11)15-3)6-4-9(14)5-7-12/h4-7H,8H2,1-3H3,3-dimethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-trien-8-oneCBMicro_005108ChemDiv2_000688DTXSID801168643HMS1370P06

Show more names

SMSF0008053CCG-18012AKOS022506485CB07481BIM-0005091.P0013,3-dimethyl-1-methylthio-2-azaspiro[4.5]deca-1,6,9-trien-8-one3,3-dimethyl-1-methylsulfanyl-2-azaspiro[4.5]deca-1,6,9-trien-8-one

Database identifiers

CAS: 220162-67-4
PubChem CID: 641990
DTXSID: DTXSID801168643
Nikkaji: J1.554.182B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 374

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