Basic information
- Standard SMILES
CC(CCNC12CC3CC(CC(C3)C1)C2)S(=O)(=O)O- InChIKey
QVAVJTAMJDYNMZ-UHFFFAOYSA-N- Molecular formula
- C14H25NO3S
- Average molar mass
- 287.42 g/mol
Names & identifiers
- Preferred name
- 4-(Adamantyl)amino-2-butanesulfonic acid
- IUPAC
- 4-(1-adamantylamino)butane-2-sulfonic acid
Names & synonyms
SCHEMBL354387SCHEMBL12226580QVAVJTAMJDYNMZ-UHFFFAOYSA-N4-(adamantyl)amino-2-butanesulfonic acid
Database identifiers
- PubChem CID
- 58724657
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
Loading…