N-(1,3-Dihydroxypropan-2-yl)-1-iodomethanesulfonamide

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Basic information

CAS: 40137-18-6
Standard SMILES: O=S(=O)(CI)NC(CO)CO
InChIKey: PMJNSIRQWKRPDY-UHFFFAOYSA-N
Molecular formula: C4H10INO4S
Average molar mass: 295.1 g/mol
Monoisotopic mass: 294.93753

Names & identifiers

Preferred name: N-(1,3-Dihydroxypropan-2-yl)-1-iodomethanesulfonamide
IUPAC: N-(1,3-dihydroxypropan-2-yl)-1-iodomethanesulfonamide

Names & synonyms

n-(1,3-dihydroxypropan-2-yl)-1-iodomethanesulfonamideDTXSID0096057940137-18-6RefChem:1090753DTXCID101388428N-(2-Hydroxy-1-(hydroxymethyl)ethyl)-1-iodomethanesulfonamideMethanesulfonamide, N-(2-hydroxy-1-(hydroxymethyl)ethyl)-1-iodo-

Database identifiers

CAS: 40137-18-6
PubChem CID: 218068
DTXSID: DTXSID00960579
Nikkaji: J78.386B

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 95 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 183

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Compound notes

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