sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide

C15H30NNaO4S — CID 23678907

IUPACsodium 2-dodecanoyloxysulfonylethyl(methyl)azanide
SMILESCCCCCCCCCCCC(=O)OS(=O)(=O)CC[N-]C.[Na+]
InChIInChI=1S/C15H30NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(17)20-21(18,19)14-13-16-2;/h3-14H2,1-2H3;/q-1;+1
InChIKeyCOJSEVYMIFCOSP-UHFFFAOYSA-N
MW343.47 g/mol
LogP0.79
Rot. Bonds14

About sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide

sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide (PubChem CID 23678907) has the molecular formula C15H30NNaO4S and a molecular weight of 343.47 g/mol. Its IUPAC name is sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide.

Molecular Properties

Compound Namesodium 2-dodecanoyloxysulfonylethyl(methyl)azanide
PubChem CID23678907
Molecular FormulaC15H30NNaO4S
Molecular Weight343.47 g/mol
Exact Mass343.18
IUPAC Namesodium 2-dodecanoyloxysulfonylethyl(methyl)azanide
SMILESCCCCCCCCCCCC(=O)OS(=O)(=O)CC[N-]C.[Na+]
InChIInChI=1S/C15H30NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(17)20-21(18,19)14-13-16-2;/h3-14H2,1-2H3;/q-1;+1
InChIKeyCOJSEVYMIFCOSP-UHFFFAOYSA-N
XLogP0.79
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

sodium 2-octadecanoyloxysulfonylethanolate
CID 130403945
2-hydroxyethylsulfonyl hexanoate
CID 23466399
bis(tetradecylsulfonyl) butanedioate
CID 57157318
potassium;hydride;2-hydroxyethylsulfonyl decanoate
CID 173291216
sodium 4-oxo-4-tridecylsulfonyloxybutanoate
CID 174263731
3-hydroxypropylsulfonyl (Z)-octadec-9-enoate
CID 175577720
2-aminoethylsulfonyl pentacosa-10,12-diynoate
CID 54401248
calcium;hydride;sulfo octadecanoate
CID 173018133
sodium;decanoyl sulfate;ethoxyethane
CID 155316659
disodium;hexadecanoyl hexadecanoate;sulfate
CID 175257807
sodium;dodecylsulfonyl acetate;hydride
CID 173360678
sodium hexadec-9-enoyl sulfate
CID 173151539

Frequently Asked Questions

What is the IUPAC name of sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide?
The IUPAC name of sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide (CID 23678907) is sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide.
What is the SMILES notation for sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide?
The canonical SMILES for sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide is CCCCCCCCCCCC(=O)OS(=O)(=O)CC[N-]C.[Na+].
What is the InChIKey of sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide?
The InChIKey is COJSEVYMIFCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-15(17)20-21(18,19)14-13-16-2;/h3-14H2,1-2H3;/q-1;+1.
What are the key properties of sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide?
sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide has a molecular weight of 343.47 g/mol, XLogP of 0.79, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-dodecanoyloxysulfonylethyl(methyl)azanide is sourced from PubChem (CID 23678907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).