sodium 2-hydrazinylethanesulfonate

C2H7N2NaO3S — CID 23676932

IUPACsodium 2-hydrazinylethanesulfonate
SMILESNNCCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H8N2O3S.Na/c3-4-1-2-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
InChIKeyUDPHCAZXFSQJHF-UHFFFAOYSA-M
MW162.15 g/mol
LogP-5.00
Rot. Bonds3

About sodium 2-hydrazinylethanesulfonate

sodium 2-hydrazinylethanesulfonate (PubChem CID 23676932) has the molecular formula C2H7N2NaO3S and a molecular weight of 162.15 g/mol. Its IUPAC name is sodium 2-hydrazinylethanesulfonate.

Molecular Properties

Compound Namesodium 2-hydrazinylethanesulfonate
PubChem CID23676932
Molecular FormulaC2H7N2NaO3S
Molecular Weight162.15 g/mol
Exact Mass162.01
IUPAC Namesodium 2-hydrazinylethanesulfonate
SMILESNNCCS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H8N2O3S.Na/c3-4-1-2-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
InChIKeyUDPHCAZXFSQJHF-UHFFFAOYSA-M
XLogP-5.00
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-5.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 2-hydrazinylethanesulfonate?
The IUPAC name of sodium 2-hydrazinylethanesulfonate (CID 23676932) is sodium 2-hydrazinylethanesulfonate.
What is the SMILES notation for sodium 2-hydrazinylethanesulfonate?
The canonical SMILES for sodium 2-hydrazinylethanesulfonate is NNCCS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-hydrazinylethanesulfonate?
The InChIKey is UDPHCAZXFSQJHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8N2O3S.Na/c3-4-1-2-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of sodium 2-hydrazinylethanesulfonate?
sodium 2-hydrazinylethanesulfonate has a molecular weight of 162.15 g/mol, XLogP of -5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydrazinylethanesulfonate is sourced from PubChem (CID 23676932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).