sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride

C5H14NNaO4S — CID 175016964

IUPACsodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride
SMILESCC(CO)(CCN)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C5H13NO4S.Na.H/c1-5(4-7,2-3-6)11(8,9)10;;/h7H,2-4,6H2,1H3,(H,8,9,10);;/q;+1;-1
InChIKeyPIZHRARWPSXGBC-UHFFFAOYSA-N
MW207.23 g/mol
LogP-3.91
Rot. Bonds4

About sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride

sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride (PubChem CID 175016964) has the molecular formula C5H14NNaO4S and a molecular weight of 207.23 g/mol. Its IUPAC name is sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride
PubChem CID175016964
Molecular FormulaC5H14NNaO4S
Molecular Weight207.23 g/mol
Exact Mass207.05
IUPAC Namesodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride
SMILESCC(CO)(CCN)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C5H13NO4S.Na.H/c1-5(4-7,2-3-6)11(8,9)10;;/h7H,2-4,6H2,1H3,(H,8,9,10);;/q;+1;-1
InChIKeyPIZHRARWPSXGBC-UHFFFAOYSA-N
XLogP-3.91
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-3.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride?
The IUPAC name of sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride (CID 175016964) is sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride?
The canonical SMILES for sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride is CC(CO)(CCN)S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride?
The InChIKey is PIZHRARWPSXGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S.Na.H/c1-5(4-7,2-3-6)11(8,9)10;;/h7H,2-4,6H2,1H3,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride?
sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride has a molecular weight of 207.23 g/mol, XLogP of -3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-1-hydroxy-2-methylbutane-2-sulfonic acid;hydride is sourced from PubChem (CID 175016964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).