sodium 2-(dodecylamino)ethyl sulfate

C14H30NNaO4S — CID 23721873

IUPACsodium 2-(dodecylamino)ethyl sulfate
SMILESCCCCCCCCCCCCNCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C14H31NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-19-20(16,17)18;/h15H,2-14H2,1H3,(H,16,17,18);/q;+1/p-1
InChIKeyAOVQVJXCILXRRU-UHFFFAOYSA-M
MW331.45 g/mol
LogP-0.02
Rot. Bonds15

About sodium 2-(dodecylamino)ethyl sulfate

sodium 2-(dodecylamino)ethyl sulfate (PubChem CID 23721873) has the molecular formula C14H30NNaO4S and a molecular weight of 331.45 g/mol. Its IUPAC name is sodium 2-(dodecylamino)ethyl sulfate.

Molecular Properties

Compound Namesodium 2-(dodecylamino)ethyl sulfate
PubChem CID23721873
Molecular FormulaC14H30NNaO4S
Molecular Weight331.45 g/mol
Exact Mass331.18
IUPAC Namesodium 2-(dodecylamino)ethyl sulfate
SMILESCCCCCCCCCCCCNCCOS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C14H31NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-19-20(16,17)18;/h15H,2-14H2,1H3,(H,16,17,18);/q;+1/p-1
InChIKeyAOVQVJXCILXRRU-UHFFFAOYSA-M
XLogP-0.02
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(dodecylamino)ethyl sulfate?
The IUPAC name of sodium 2-(dodecylamino)ethyl sulfate (CID 23721873) is sodium 2-(dodecylamino)ethyl sulfate.
What is the SMILES notation for sodium 2-(dodecylamino)ethyl sulfate?
The canonical SMILES for sodium 2-(dodecylamino)ethyl sulfate is CCCCCCCCCCCCNCCOS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(dodecylamino)ethyl sulfate?
The InChIKey is AOVQVJXCILXRRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H31NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-19-20(16,17)18;/h15H,2-14H2,1H3,(H,16,17,18);/q;+1/p-1.
What are the key properties of sodium 2-(dodecylamino)ethyl sulfate?
sodium 2-(dodecylamino)ethyl sulfate has a molecular weight of 331.45 g/mol, XLogP of -0.02, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(dodecylamino)ethyl sulfate is sourced from PubChem (CID 23721873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).