Basic information
- CAS
1010-28-2- Standard SMILES
O=C(O)[C@@H]1CSC2(CCCCC2)N1- InChIKey
HEUZVMPNXULHIT-ZETCQYMHSA-N- Molecular formula
- C9H15NO2S
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.08234989
Names & identifiers
- Preferred name
- (2R)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid
- IUPAC
- (3R)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
Names & synonyms
1010-28-2(2R)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid1-Thia-4-azaspiro[4.5]decane-3-carboxylic acid, (R)-DTXSID401220685AKOS003681738ST066698(R)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid(3R)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
Database identifiers
- CAS
1010-28-2- PubChem CID
- 676649
- DTXSID
DTXSID401220685
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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