[3-[6-(3-Methylsulfonyloxypropanoylamino)hexylamino]-3-oxopropyl] methanesulfonate

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Basic information

CAS: 36647-85-5
Standard SMILES: CS(=O)(=O)OCCC(=O)NCCCCCCNC(=O)CCOS(C)(=O)=O
InChIKey: KNBXTCDCZUNAHT-UHFFFAOYSA-N
Molecular formula: C14H28N2O8S2
Average molar mass: 416.5 g/mol
Monoisotopic mass: 416.1287082

Names & identifiers

Preferred name: [3-[6-(3-Methylsulfonyloxypropanoylamino)hexylamino]-3-oxopropyl] methanesulfonate
IUPAC: [3-[6-(3-methylsulfonyloxypropanoylamino)hexylamino]-3-oxopropyl] methanesulfonate

Names & synonyms

36647-85-5NSC55112DTXSID50288255NSC-55112DS-002048Propanamide,n,n-1,6-hexanediylbis[3-[(methylsulfonyl)oxy]-[(Hexane-1,6-diyl)bis(azanediyl)-3-oxopropane-3,1-diyl] dimethanesulfonate

Database identifiers

CAS: 36647-85-5
PubChem CID: 244281
DTXSID: DTXSID50288255

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 162 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 15
Heavy atoms: 26
Formal charge: 0
Complexity: 564

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Compound notes

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