sodium;azane;2-dodecoxyethyl sulfate

C14H32NNaO5S — CID 155973928

IUPACsodium;azane;2-dodecoxyethyl sulfate
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)[O-].N.[Na+]
InChIInChI=1S/C14H30O5S.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H3;/q;;+1/p-1
InChIKeyXGHIRGCUJUQKNA-UHFFFAOYSA-M
MW349.47 g/mol
LogP0.57
Rot. Bonds15

About sodium;azane;2-dodecoxyethyl sulfate

sodium;azane;2-dodecoxyethyl sulfate (PubChem CID 155973928) has the molecular formula C14H32NNaO5S and a molecular weight of 349.47 g/mol. Its IUPAC name is sodium;azane;2-dodecoxyethyl sulfate.

Molecular Properties

Compound Namesodium;azane;2-dodecoxyethyl sulfate
PubChem CID155973928
Molecular FormulaC14H32NNaO5S
Molecular Weight349.47 g/mol
Exact Mass349.19
IUPAC Namesodium;azane;2-dodecoxyethyl sulfate
SMILESCCCCCCCCCCCCOCCOS(=O)(=O)[O-].N.[Na+]
InChIInChI=1S/C14H30O5S.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H3;/q;;+1/p-1
InChIKeyXGHIRGCUJUQKNA-UHFFFAOYSA-M
XLogP0.57
TPSA110.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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;azane;2-dodecoxyethyl sulfate?
The IUPAC name of sodium;azane;2-dodecoxyethyl sulfate (CID 155973928) is sodium;azane;2-dodecoxyethyl sulfate.
What is the SMILES notation for sodium;azane;2-dodecoxyethyl sulfate?
The canonical SMILES for sodium;azane;2-dodecoxyethyl sulfate is CCCCCCCCCCCCOCCOS(=O)(=O)[O-].N.[Na+].
What is the InChIKey of sodium;azane;2-dodecoxyethyl sulfate?
The InChIKey is XGHIRGCUJUQKNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30O5S.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;;/h2-14H2,1H3,(H,15,16,17);1H3;/q;;+1/p-1.
What are the key properties of sodium;azane;2-dodecoxyethyl sulfate?
sodium;azane;2-dodecoxyethyl sulfate has a molecular weight of 349.47 g/mol, XLogP of 0.57, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;2-dodecoxyethyl sulfate is sourced from PubChem (CID 155973928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).