[4-(Propan-2-ylsulfonylamino)oxolan-3-yl] methanesulfonate

HCID 87305055

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)S(=O)(=O)NC1COCC1OS(C)(=O)=O
InChIKey: BAOGLMWHCJMVMI-UHFFFAOYSA-N
Molecular formula: C8H17NO6S2
Average molar mass: 287.4 g/mol
Monoisotopic mass: 287.04972961

Names & identifiers

Preferred name: [4-(Propan-2-ylsulfonylamino)oxolan-3-yl] methanesulfonate
IUPAC: [4-(propan-2-ylsulfonylamino)oxolan-3-yl] methanesulfonate

Names & synonyms

SCHEMBL1873364

Database identifiers

PubChem CID: 87305055

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 443

Related reactions

2 records

New reaction record

HRID 86260 reaction equation

HRID 86260As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 678443 reaction equation

HRID 678443As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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