sodium;1-aminohex-5-ene-2-sulfonic acid;hydride

C6H14NNaO3S — CID 173373660

IUPACsodium;1-aminohex-5-ene-2-sulfonic acid;hydride
SMILESC=CCCC(CN)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C6H13NO3S.Na.H/c1-2-3-4-6(5-7)11(8,9)10;;/h2,6H,1,3-5,7H2,(H,8,9,10);;/q;+1;-1
InChIKeyODKVLUCYWBGIIH-UHFFFAOYSA-N
MW203.24 g/mol
LogP-2.72
Rot. Bonds5

About sodium;1-aminohex-5-ene-2-sulfonic acid;hydride

sodium;1-aminohex-5-ene-2-sulfonic acid;hydride (PubChem CID 173373660) has the molecular formula C6H14NNaO3S and a molecular weight of 203.24 g/mol. Its IUPAC name is sodium;1-aminohex-5-ene-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;1-aminohex-5-ene-2-sulfonic acid;hydride
PubChem CID173373660
Molecular FormulaC6H14NNaO3S
Molecular Weight203.24 g/mol
Exact Mass203.06
IUPAC Namesodium;1-aminohex-5-ene-2-sulfonic acid;hydride
SMILESC=CCCC(CN)S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C6H13NO3S.Na.H/c1-2-3-4-6(5-7)11(8,9)10;;/h2,6H,1,3-5,7H2,(H,8,9,10);;/q;+1;-1
InChIKeyODKVLUCYWBGIIH-UHFFFAOYSA-N
XLogP-2.72
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-2.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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;1-aminohex-5-ene-2-sulfonic acid;hydride?
The IUPAC name of sodium;1-aminohex-5-ene-2-sulfonic acid;hydride (CID 173373660) is sodium;1-aminohex-5-ene-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;1-aminohex-5-ene-2-sulfonic acid;hydride?
The canonical SMILES for sodium;1-aminohex-5-ene-2-sulfonic acid;hydride is C=CCCC(CN)S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;1-aminohex-5-ene-2-sulfonic acid;hydride?
The InChIKey is ODKVLUCYWBGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.Na.H/c1-2-3-4-6(5-7)11(8,9)10;;/h2,6H,1,3-5,7H2,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;1-aminohex-5-ene-2-sulfonic acid;hydride?
sodium;1-aminohex-5-ene-2-sulfonic acid;hydride has a molecular weight of 203.24 g/mol, XLogP of -2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-aminohex-5-ene-2-sulfonic acid;hydride is sourced from PubChem (CID 173373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).