Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one
Basic information
- CAS
159553-34-1- Standard SMILES
O=C1CSC2(N1)C1CC3CC(C1)CC2C3- InChIKey
SGWGCHAABBOHPD-UHFFFAOYSA-N- Molecular formula
- C12H17NOS
- Average molar mass
- 223.34 g/mol
- Monoisotopic mass
- 223.10308534
Names & identifiers
- Preferred name
- Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-one
- IUPAC
- spiro[1,3-thiazolidine-2,2'-adamantane]-4-one
Names & synonyms
159553-34-1Spiro(thiazolidine-2,2'-tricyclo(3.3.1.1(sup 3,7))decan)-4-oneAdamantane-2-spiro(2'-thiazolidine-4'-one)DTXSID10166681RefChem:381224DTXCID7089172spiro[1,3-thiazolidine-2,2'-adamantane]-4-oneSpiro[adamantane-2,2'-thiazolidin]-4'-oneSpiro[thiazolidine-2,2'-tricyclo[3.3.1.13,7]decan]-4-oneSpiro[[1,3]thiazolidine-2,2'-tricyclo[3.3.1.1~3,7~]decan]-4-oneCDS1_002732CBMicro_014808
Show more names
ChemDiv1_018988Oprea1_877026MLS001044343DivK1c_003772CHEMBL1528744HMS640P02HMS2776M24SMSF0005129
Database identifiers
- CAS
159553-34-1- PubChem CID
- 712289
- DTXSID
DTXSID10166681- ChEMBL
CHEMBL1528744- Nikkaji
- J545.166C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
Solubility12.5 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…