[(E)-2-dimethylsulfonioethenyl]-triethylazanium

C10H23NS+2 — CID 134879556

IUPAC[(E)-2-dimethylsulfonioethenyl]-triethylazanium
SMILESCC[N+](/C=C/[S+](C)C)(CC)CC
InChIInChI=1S/C10H23NS/c1-6-11(7-2,8-3)9-10-12(4)5/h9-10H,6-8H2,1-5H3/q+2/b10-9+
InChIKeyGREVBBTZOLGXAI-MDZDMXLPSA-N
MW189.37 g/mol
LogP2.21
Rot. Bonds5

About [(E)-2-dimethylsulfonioethenyl]-triethylazanium

[(E)-2-dimethylsulfonioethenyl]-triethylazanium (PubChem CID 134879556) has the molecular formula C10H23NS+2 and a molecular weight of 189.37 g/mol. Its IUPAC name is [(E)-2-dimethylsulfonioethenyl]-triethylazanium.

Molecular Properties

Compound Name[(E)-2-dimethylsulfonioethenyl]-triethylazanium
PubChem CID134879556
Molecular FormulaC10H23NS+2
Molecular Weight189.37 g/mol
Exact Mass189.15
IUPAC Name[(E)-2-dimethylsulfonioethenyl]-triethylazanium
SMILESCC[N+](/C=C/[S+](C)C)(CC)CC
InChIInChI=1S/C10H23NS/c1-6-11(7-2,8-3)9-10-12(4)5/h9-10H,6-8H2,1-5H3/q+2/b10-9+
InChIKeyGREVBBTZOLGXAI-MDZDMXLPSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-dimethylsulfonioethenyl]-triethylazanium?
The IUPAC name of [(E)-2-dimethylsulfonioethenyl]-triethylazanium (CID 134879556) is [(E)-2-dimethylsulfonioethenyl]-triethylazanium.
What is the SMILES notation for [(E)-2-dimethylsulfonioethenyl]-triethylazanium?
The canonical SMILES for [(E)-2-dimethylsulfonioethenyl]-triethylazanium is CC[N+](/C=C/[S+](C)C)(CC)CC.
What is the InChIKey of [(E)-2-dimethylsulfonioethenyl]-triethylazanium?
The InChIKey is GREVBBTZOLGXAI-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H23NS/c1-6-11(7-2,8-3)9-10-12(4)5/h9-10H,6-8H2,1-5H3/q+2/b10-9+.
What are the key properties of [(E)-2-dimethylsulfonioethenyl]-triethylazanium?
[(E)-2-dimethylsulfonioethenyl]-triethylazanium has a molecular weight of 189.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-dimethylsulfonioethenyl]-triethylazanium is sourced from PubChem (CID 134879556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).