tris(ethenyl)-(sulfomethyl)azanium

C7H12NO3S+ — CID 101285485

IUPACtris(ethenyl)-(sulfomethyl)azanium
SMILESC=C[N+](C=C)(C=C)CS(=O)(=O)O
InChIInChI=1S/C7H11NO3S/c1-4-8(5-2,6-3)7-12(9,10)11/h4-6H,1-3,7H2/p+1
InChIKeyMGIOBWYMGUUEDW-UHFFFAOYSA-O
MW190.24 g/mol
LogP1.08
Rot. Bonds5

About tris(ethenyl)-(sulfomethyl)azanium

tris(ethenyl)-(sulfomethyl)azanium (PubChem CID 101285485) has the molecular formula C7H12NO3S+ and a molecular weight of 190.24 g/mol. Its IUPAC name is tris(ethenyl)-(sulfomethyl)azanium.

Molecular Properties

Compound Nametris(ethenyl)-(sulfomethyl)azanium
PubChem CID101285485
Molecular FormulaC7H12NO3S+
Molecular Weight190.24 g/mol
Exact Mass190.05
IUPAC Nametris(ethenyl)-(sulfomethyl)azanium
SMILESC=C[N+](C=C)(C=C)CS(=O)(=O)O
InChIInChI=1S/C7H11NO3S/c1-4-8(5-2,6-3)7-12(9,10)11/h4-6H,1-3,7H2/p+1
InChIKeyMGIOBWYMGUUEDW-UHFFFAOYSA-O
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
trimethyl(sulfomethyl)azanium
CID 10154147
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
2-aminoethyl-dimethyl-(sulfomethyl)azanium
CID 89432755
sodium;prop-1-ene;prop-2-ene-1-sulfonic acid
CID 88807724
ethenesulfonic acid;prop-2-ene-1-sulfonic acid
CID 87136700
tributyl(sulfomethyl)azanium bromide
CID 175342911
ethane-1,2-diol;ethenol;sulfuric acid
CID 87139744

Frequently Asked Questions

What is the IUPAC name of tris(ethenyl)-(sulfomethyl)azanium?
The IUPAC name of tris(ethenyl)-(sulfomethyl)azanium (CID 101285485) is tris(ethenyl)-(sulfomethyl)azanium.
What is the SMILES notation for tris(ethenyl)-(sulfomethyl)azanium?
The canonical SMILES for tris(ethenyl)-(sulfomethyl)azanium is C=C[N+](C=C)(C=C)CS(=O)(=O)O.
What is the InChIKey of tris(ethenyl)-(sulfomethyl)azanium?
The InChIKey is MGIOBWYMGUUEDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11NO3S/c1-4-8(5-2,6-3)7-12(9,10)11/h4-6H,1-3,7H2/p+1.
What are the key properties of tris(ethenyl)-(sulfomethyl)azanium?
tris(ethenyl)-(sulfomethyl)azanium has a molecular weight of 190.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethenyl)-(sulfomethyl)azanium is sourced from PubChem (CID 101285485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).