I+/--[[[2-(Methylsulfonyl)ethyl]amino]methyl]benzenemethanol

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Basic information

CAS: 1183275-65-1
Standard SMILES: CS(=O)(=O)CCNCC(O)c1ccccc1
InChIKey: VBEXKMUXQWTPAF-UHFFFAOYSA-N
Molecular formula: C11H17NO3S
Average molar mass: 243.32 g/mol
Monoisotopic mass: 243.09291458

Names & identifiers

Preferred name: I+/--[[[2-(Methylsulfonyl)ethyl]amino]methyl]benzenemethanol
IUPAC: 2-(2-methylsulfonylethylamino)-1-phenylethanol

Names & synonyms

DTXSID601195622AKOS0091350692-{[2-(Methanesulfonyl)ethyl]amino}-1-phenylethan-1-olI+/--[[[2-(Methylsulfonyl)ethyl]amino]methyl]benzenemethanol1183275-65-1

Database identifiers

CAS: 1183275-65-1
PubChem CID: 60720186
DTXSID: DTXSID601195622

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 278

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Compound notes

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