Basic information
- CAS
83699-46-1- Standard SMILES
O=C(NCCS)C12CC3CC(CC(C3)C1)C2- InChIKey
IYQYYKUEORAMKZ-UHFFFAOYSA-N- Molecular formula
- C13H21NOS
- Average molar mass
- 239.38 g/mol
- Monoisotopic mass
- 239.13438547
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-mercaptoethyl)-
- IUPAC
- N-(2-sulfanylethyl)adamantane-1-carboxamide
Names & synonyms
BRN 5741087N-(2-Mercaptoethyl)adamantan-1-carboxamideTricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-mercaptoethyl)-83699-46-1DTXSID80232529N-(2-Mercaptoethyl)tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamideRefChem:385967DTXCID60155020N-(2-sulfanylethyl)adamantane-1-carboxamide
Database identifiers
- CAS
83699-46-1- PubChem CID
- 64520
- DTXSID
DTXSID80232529
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…