sodium;hydride;4-hydroxybutane-1-sulfonic acid

C4H11NaO4S — CID 3084541

IUPACsodium;hydride;4-hydroxybutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCO.[H-].[Na+]
InChIInChI=1S/C4H10O4S.Na.H/c5-3-1-2-4-9(6,7)8;;/h5H,1-4H2,(H,6,7,8);;/q;+1;-1
InChIKeyOYOZZVUTHHOWMI-UHFFFAOYSA-N
MW178.18 g/mol
LogP-3.24
Rot. Bonds4

About sodium;hydride;4-hydroxybutane-1-sulfonic acid

sodium;hydride;4-hydroxybutane-1-sulfonic acid (PubChem CID 3084541) has the molecular formula C4H11NaO4S and a molecular weight of 178.18 g/mol. Its IUPAC name is sodium;hydride;4-hydroxybutane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;4-hydroxybutane-1-sulfonic acid
PubChem CID3084541
Molecular FormulaC4H11NaO4S
Molecular Weight178.18 g/mol
Exact Mass178.03
IUPAC Namesodium;hydride;4-hydroxybutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCO.[H-].[Na+]
InChIInChI=1S/C4H10O4S.Na.H/c5-3-1-2-4-9(6,7)8;;/h5H,1-4H2,(H,6,7,8);;/q;+1;-1
InChIKeyOYOZZVUTHHOWMI-UHFFFAOYSA-N
XLogP-3.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-3.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-hydroxybutane-1-sulfonic acid?
The IUPAC name of sodium;hydride;4-hydroxybutane-1-sulfonic acid (CID 3084541) is sodium;hydride;4-hydroxybutane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;4-hydroxybutane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;4-hydroxybutane-1-sulfonic acid is O=S(=O)(O)CCCCO.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-hydroxybutane-1-sulfonic acid?
The InChIKey is OYOZZVUTHHOWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S.Na.H/c5-3-1-2-4-9(6,7)8;;/h5H,1-4H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;4-hydroxybutane-1-sulfonic acid?
sodium;hydride;4-hydroxybutane-1-sulfonic acid has a molecular weight of 178.18 g/mol, XLogP of -3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-hydroxybutane-1-sulfonic acid is sourced from PubChem (CID 3084541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).