2-(Bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo(5.2.1.0 1,5)dec-4-yl)-ethanone

HCID 14430217

Basic information

Standard SMILES
CSC(=NCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C)SC
InChIKey
IXTNNTWFDQGMIN-UHFFFAOYSA-N
Molecular formula
C15H24N2O3S3
Average molar mass
376.6 g/mol

Names & identifiers

Preferred name
2-(Bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo(5.2.1.0 1,5)dec-4-yl)-ethanone
IUPAC
2-[bis(methylsulfanyl)methylideneamino]-1-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)ethanone

Names & synonyms

2-(bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo(5.2.1.0 1,5)dec-4-yl)-ethanone2-(bis-methylsulfanyl-methyleneamino)-1-(10,10-dimethyl-3,3-dioxo-3-thia-4-aza-tricyclo[5.2.1.0 1,5]dec-4-yl)-ethanoneSCHEMBL7156071IXTNNTWFDQGMIN-UHFFFAOYSA-N

Database identifiers

PubChem CID
14430217

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
126 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

4 records

Compound notes

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