6-[2-(Methylsulfanyl)ethyl]-5-(propan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

HCID 83257540

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Basic information

CAS: 1548743-67-4
Standard SMILES: CSCCN1C(=O)C2(CC2)NC1C(C)C
InChIKey: CIWRGGXXILOGBM-UHFFFAOYSA-N
Molecular formula: C11H20N2OS
Average molar mass: 228.36 g/mol
Monoisotopic mass: 228.12963444

Names & identifiers

Preferred name: 6-[2-(Methylsulfanyl)ethyl]-5-(propan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
IUPAC: 6-(2-methylsulfanylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

Names & synonyms

DTXSID301143008AKOS0215798444,6-Diazaspiro[2.4]heptan-7-one, 5-(1-methylethyl)-6-[2-(methylthio)ethyl]-6-[2-(Methylsulfanyl)ethyl]-5-(propan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one1548743-67-4

Database identifiers

CAS: 1548743-67-4
PubChem CID: 83257540
DTXSID: DTXSID301143008

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 263

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