disodium;hydride;2-(methylamino)ethanesulfonic acid

C3H11NNa2O3S — CID 173271424

IUPACdisodium;hydride;2-(methylamino)ethanesulfonic acid
SMILESCNCCS(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H9NO3S.2Na.2H/c1-4-2-3-8(5,6)7;;;;/h4H,2-3H2,1H3,(H,5,6,7);;;;/q;2*+1;2*-1
InChIKeyHYTGANKEOGNXLO-UHFFFAOYSA-N
MW187.17 g/mol
LogP-6.67
Rot. Bonds3

About disodium;hydride;2-(methylamino)ethanesulfonic acid

disodium;hydride;2-(methylamino)ethanesulfonic acid (PubChem CID 173271424) has the molecular formula C3H11NNa2O3S and a molecular weight of 187.17 g/mol. Its IUPAC name is disodium;hydride;2-(methylamino)ethanesulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;2-(methylamino)ethanesulfonic acid
PubChem CID173271424
Molecular FormulaC3H11NNa2O3S
Molecular Weight187.17 g/mol
Exact Mass187.03
IUPAC Namedisodium;hydride;2-(methylamino)ethanesulfonic acid
SMILESCNCCS(=O)(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H9NO3S.2Na.2H/c1-4-2-3-8(5,6)7;;;;/h4H,2-3H2,1H3,(H,5,6,7);;;;/q;2*+1;2*-1
InChIKeyHYTGANKEOGNXLO-UHFFFAOYSA-N
XLogP-6.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-6.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of disodium;hydride;2-(methylamino)ethanesulfonic acid?
The IUPAC name of disodium;hydride;2-(methylamino)ethanesulfonic acid (CID 173271424) is disodium;hydride;2-(methylamino)ethanesulfonic acid.
What is the SMILES notation for disodium;hydride;2-(methylamino)ethanesulfonic acid?
The canonical SMILES for disodium;hydride;2-(methylamino)ethanesulfonic acid is CNCCS(=O)(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;2-(methylamino)ethanesulfonic acid?
The InChIKey is HYTGANKEOGNXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.2Na.2H/c1-4-2-3-8(5,6)7;;;;/h4H,2-3H2,1H3,(H,5,6,7);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;2-(methylamino)ethanesulfonic acid?
disodium;hydride;2-(methylamino)ethanesulfonic acid has a molecular weight of 187.17 g/mol, XLogP of -6.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;2-(methylamino)ethanesulfonic acid is sourced from PubChem (CID 173271424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).