N,N-diethyl-4-methyl-2-(4-methylphenyl)-2H-thiet-3-amine 1,1-dioxide
Basic information
- CAS
50534-59-3- Standard SMILES
CCN(CC)C1=C(C)S(=O)(=O)C1c1ccc(C)cc1- InChIKey
YMAFUGUJWNVWNG-UHFFFAOYSA-N- Molecular formula
- C15H21NO2S
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.12930009
Names & identifiers
- Preferred name
- N,N-diethyl-4-methyl-2-(4-methylphenyl)-2H-thiet-3-amine 1,1-dioxide
- IUPAC
- N,N-diethyl-4-methyl-2-(4-methylphenyl)-1,1-dioxo-2H-thiet-3-amine
Names & synonyms
N,N-diethyl-4-methyl-2-(4-methylphenyl)-2H-thiet-3-amine 1,1-dioxide50534-59-3DTXSID70301011RefChem:359054DTXCID20252145NSC140375NSC-140375diethyl-[2-methyl-1,1-dioxo-4-(p-tolyl)-4H-thiet-3-yl]-amine3-(Diethylamino)-4-methyl-2-(4-methylphenyl)-1lambda~6~-thiete-1,1(2H)-dione
Database identifiers
- CAS
50534-59-3- PubChem CID
- 284533
- DTXSID
DTXSID70301011
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 449
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Compound notes
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