8NW

5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide

Created:2017-02-14
Last modified:  2017-11-01

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count37
Aromatic Bond Count0
2D diagram of 8NW

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Chemical Component Summary

Name5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide
Systematic Name (OpenEye OEToolkits)5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide
FormulaC11 H21 N O2 S2
Molecular Weight263.42
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OCCCNC(=O)CCCC[CH]1CCSS1
SMILESOpenEye OEToolkits2.0.6C1CSSC1CCCCC(=O)NCCCO
Canonical SMILESCACTVS3.385 OCCCNC(=O)CCCC[C@H]1CCSS1
Canonical SMILESOpenEye OEToolkits2.0.6 C1CSS[C@H]1CCCCC(=O)NCCCO
InChIInChI1.03 InChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1
InChIKeyInChI1.03 QPQPASXMSHOHIW-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 96544742