1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-methyl-,monohydrochloride

HCID 215919

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Basic information

CAS: 36844-76-5
Standard SMILES: CN1C(=O)CSC12CCN(CC1COc3ccccc3O1)CC2.Cl
InChIKey: UGGUUSKOAZRTCQ-UHFFFAOYSA-N
Molecular formula: C17H23ClN2O3S
Average molar mass: 370.9 g/mol
Monoisotopic mass: 370.1117915

Names & identifiers

Preferred name: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-methyl-,monohydrochloride
IUPAC: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride

Names & synonyms

36844-76-58-(1,4-Benzodioxan-2-ylmethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-methyl-,monohydrochlorideRefChem:235475DTXSID309580458-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one--hydrogen chloride (1/1)

Database identifiers

CAS: 36844-76-5
PubChem CID: 215919
DTXSID: DTXSID30958045

Properties

Computed structural properties

Topological polar surface area: 67.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 453

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