bis(4,4-dimethylmorpholin-4-ium);sulfide

C12H28N2O2S — CID 67788845

IUPACbis(4,4-dimethylmorpholin-4-ium);sulfide
SMILESC[N+]1(C)CCOCC1.C[N+]1(C)CCOCC1.[S-2]
InChIInChI=1S/2C6H14NO.S/c2*1-7(2)3-5-8-6-4-7;/h2*3-6H2,1-2H3;/q2*+1;-2
InChIKeyFKAIWVUBCGLSIS-UHFFFAOYSA-N
MW264.43 g/mol
LogP0.18
Rot. Bonds

About bis(4,4-dimethylmorpholin-4-ium);sulfide

bis(4,4-dimethylmorpholin-4-ium);sulfide (PubChem CID 67788845) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is bis(4,4-dimethylmorpholin-4-ium);sulfide.

Molecular Properties

Compound Namebis(4,4-dimethylmorpholin-4-ium);sulfide
PubChem CID67788845
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC Namebis(4,4-dimethylmorpholin-4-ium);sulfide
SMILESC[N+]1(C)CCOCC1.C[N+]1(C)CCOCC1.[S-2]
InChIInChI=1S/2C6H14NO.S/c2*1-7(2)3-5-8-6-4-7;/h2*3-6H2,1-2H3;/q2*+1;-2
InChIKeyFKAIWVUBCGLSIS-UHFFFAOYSA-N
XLogP0.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,4-dimethylmorpholin-4-ium);sulfide?
The IUPAC name of bis(4,4-dimethylmorpholin-4-ium);sulfide (CID 67788845) is bis(4,4-dimethylmorpholin-4-ium);sulfide.
What is the SMILES notation for bis(4,4-dimethylmorpholin-4-ium);sulfide?
The canonical SMILES for bis(4,4-dimethylmorpholin-4-ium);sulfide is C[N+]1(C)CCOCC1.C[N+]1(C)CCOCC1.[S-2].
What is the InChIKey of bis(4,4-dimethylmorpholin-4-ium);sulfide?
The InChIKey is FKAIWVUBCGLSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14NO.S/c2*1-7(2)3-5-8-6-4-7;/h2*3-6H2,1-2H3;/q2*+1;-2.
What are the key properties of bis(4,4-dimethylmorpholin-4-ium);sulfide?
bis(4,4-dimethylmorpholin-4-ium);sulfide has a molecular weight of 264.43 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-dimethylmorpholin-4-ium);sulfide is sourced from PubChem (CID 67788845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).