Hexahydro-2H-isothiazolo[2,3-a]pyrazine 1,1-dioxide

HCID 59215775
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Basic information

Standard SMILES
O=S1(=O)CCC2CNCCN21
InChIKey
BYYKMTONWNLJGJ-UHFFFAOYSA-N
Molecular formula
C6H12N2O2S
Average molar mass
176.24 g/mol
Monoisotopic mass
176.0619488

Names & identifiers

Preferred name
Hexahydro-2H-isothiazolo[2,3-a]pyrazine 1,1-dioxide
IUPAC
3,3a,4,5,6,7-hexahydro-2H-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide

Names & synonyms

929047-17-6Hexahydro-2H-1lambda6-[1,2]thiazolo[2,3-a]piperazine-1,1-dioneHexahydro-2H-isothiazolo[2,3-a]pyrazine 1,1-dioxideSCHEMBL117103SCHEMBL344887BYYKMTONWNLJGJ-UHFFFAOYSA-NEN300-1091497Hexahydro-2H-isothiazolo[2,3-a ]pyrazine 1,1-dioxide

Database identifiers

PubChem CID
59215775

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
57.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
11

Related reactions

17 records
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Compound notes

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