Basic information
- Standard SMILES
CC1(C)SCCN(S(=O)(=O)c2ccc3ccccc3c2)C1C(=O)O- InChIKey
RURVVFOXYTVADJ-UHFFFAOYSA-N- Molecular formula
- C17H19NO4S2
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4-(naphthalene-2-sulfonyl)-thiomorpholine-3-carboxylic acid
- IUPAC
- 2,2-dimethyl-4-naphthalen-2-ylsulfonylthiomorpholine-3-carboxylic acid
Names & synonyms
SCHEMBL1770223RURVVFOXYTVADJ-UHFFFAOYSA-N2,2-Dimethyl-4-(naphthalene-2-sulfonyl)-thiomorpholine-3-carboxylic acid
Database identifiers
- PubChem CID
- 67155154
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 584
Related reactions
1 records
Compound notes
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