sodium;1-aminoethanesulfonate;ethene

C4H10NNaO3S — CID 162261200

IUPACsodium;1-aminoethanesulfonate;ethene
SMILESC=C.CC(N)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H7NO3S.C2H4.Na/c1-2(3)7(4,5)6;1-2;/h2H,3H2,1H3,(H,4,5,6);1-2H2;/q;;+1/p-1
InChIKeyALLGJBQDVDSDGL-UHFFFAOYSA-M
MW175.18 g/mol
LogP-3.36
Rot. Bonds1

About sodium;1-aminoethanesulfonate;ethene

sodium;1-aminoethanesulfonate;ethene (PubChem CID 162261200) has the molecular formula C4H10NNaO3S and a molecular weight of 175.18 g/mol. Its IUPAC name is sodium;1-aminoethanesulfonate;ethene.

Molecular Properties

Compound Namesodium;1-aminoethanesulfonate;ethene
PubChem CID162261200
Molecular FormulaC4H10NNaO3S
Molecular Weight175.18 g/mol
Exact Mass175.03
IUPAC Namesodium;1-aminoethanesulfonate;ethene
SMILESC=C.CC(N)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H7NO3S.C2H4.Na/c1-2(3)7(4,5)6;1-2;/h2H,3H2,1H3,(H,4,5,6);1-2H2;/q;;+1/p-1
InChIKeyALLGJBQDVDSDGL-UHFFFAOYSA-M
XLogP-3.36
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-aminoethanesulfonate;triethylazanium
CID 141340656
disodium;propane-1,2-disulfonate
CID 23131501
disodium;ethene;sulfate
CID 161033718
nickel(2+);bis(propane-2-sulfonate)
CID 18692784
bis(tetramethylphosphanium);sulfate
CID 87132356
sodium 1-(2-aminoethylamino)ethanesulfonate
CID 23713918
1-bromoethanesulfonate
CID 22728676
sodium 3-cyanobutane-2-sulfonate
CID 88548842
disodium;2-methylpropane-1,3-diol;sulfate
CID 158006830
potassium 1-sulfanylethanesulfonate
CID 87974378
sodium (2R)-1-hydroxy-2-methylbutane-1-sulfonate
CID 130127919
sodium 1-hydroxypropane-1-sulfonate
CID 23690802

Frequently Asked Questions

What is the IUPAC name of sodium;1-aminoethanesulfonate;ethene?
The IUPAC name of sodium;1-aminoethanesulfonate;ethene (CID 162261200) is sodium;1-aminoethanesulfonate;ethene.
What is the SMILES notation for sodium;1-aminoethanesulfonate;ethene?
The canonical SMILES for sodium;1-aminoethanesulfonate;ethene is C=C.CC(N)S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;1-aminoethanesulfonate;ethene?
The InChIKey is ALLGJBQDVDSDGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3S.C2H4.Na/c1-2(3)7(4,5)6;1-2;/h2H,3H2,1H3,(H,4,5,6);1-2H2;/q;;+1/p-1.
What are the key properties of sodium;1-aminoethanesulfonate;ethene?
sodium;1-aminoethanesulfonate;ethene has a molecular weight of 175.18 g/mol, XLogP of -3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-aminoethanesulfonate;ethene is sourced from PubChem (CID 162261200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).