3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
Basic information
- CAS
1596-46-9- Standard SMILES
CC(N)CC1CCS(=O)(=O)C1.Cl- InChIKey
YAYNGNQITSMGGT-UHFFFAOYSA-N- Molecular formula
- C7H16ClNO2S
- Average molar mass
- 213.73 g/mol
- Monoisotopic mass
- 213.0590276
Names & identifiers
- Preferred name
- 3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
- IUPAC
- 1-(1,1-dioxothiolan-3-yl)propan-2-amine;hydrochloride
Names & synonyms
1596-46-93-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochlorideRefChem:10688513-(2-Amino-1-propyl)tetrahydrothiophene 1,1-dioxide hydrochlorideTetrahydro-alpha-methyl-3-thiophenethylamine 1,1-dioxide hydrochlorideDTXSID409361323-(2-Aminopropyl)-1lambda~6~-thiolane-1,1-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
1596-46-9- PubChem CID
- 200358
- DTXSID
DTXSID40936132
Properties
Computed structural properties
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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