N-[2-(Ethylsulfonyl)ethyl]benzenamine

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Basic information

CAS: 311788-49-5
Standard SMILES: CCS(=O)(=O)CCNc1ccccc1
InChIKey: QZUMJVAUGDSJQN-UHFFFAOYSA-N
Molecular formula: C10H15NO2S
Average molar mass: 213.3 g/mol
Monoisotopic mass: 213.08234989

Names & identifiers

Preferred name: N-[2-(Ethylsulfonyl)ethyl]benzenamine
IUPAC: N-(2-ethylsulfonylethyl)aniline

Names & synonyms

N-[2-(Ethanesulfonyl)ethyl]anilineN-[2-(Ethylsulfonyl)ethyl]benzenamineOprea1_441301SCHEMBL26422118DTXSID701285416N-[2-(ethylsulfonyl)ethyl]anilineAKOS009994844311788-49-5AG-205/12761962SR-01000517712SR-01000517712-1

Database identifiers

CAS: 311788-49-5
PubChem CID: 5081573
DTXSID: DTXSID701285416

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 237

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Compound notes

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