3-[4-Amino-2-(2-hydroxyethanesulfonyl)anilino]propan-1-ol
Basic information
- CAS
100984-01-8- Standard SMILES
Nc1ccc(NCCCO)c(S(=O)(=O)CCO)c1- InChIKey
XEBDYNJULYACAP-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.09872823
Names & identifiers
- Preferred name
- 3-[4-Amino-2-(2-hydroxyethanesulfonyl)anilino]propan-1-ol
- IUPAC
- 3-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propan-1-ol
Names & synonyms
100984-01-81-Propanol, 3-[[4-amino-2-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-SCHEMBL9879136DTXSID105454123-[4-Amino-2-(2-hydroxyethanesulfonyl)anilino]propan-1-ol
Database identifiers
- CAS
100984-01-8- PubChem CID
- 13628660
- DTXSID
DTXSID10545412
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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