silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)

C42H84AgN2NaO6S2 — CID 159978293

IUPACsilver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].CCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].[Ag+].[Na+]
InChIInChI=1S/2C21H43NO3S.Ag.Na/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25;;/h2*10-11H,3-9,12-21H2,1-2H3,(H,23,24,25);;/q;;2*+1/p-2/b2*11-10-;;
InChIKeyDQIIACSQJBOLJD-SMLRXQOISA-L
MW908.13 g/mol
LogP8.00
Rot. Bonds38

About silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)

silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate) (PubChem CID 159978293) has the molecular formula C42H84AgN2NaO6S2 and a molecular weight of 908.13 g/mol. Its IUPAC name is silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate).

Molecular Properties

Compound Namesilver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)
PubChem CID159978293
Molecular FormulaC42H84AgN2NaO6S2
Molecular Weight908.13 g/mol
Exact Mass906.47
IUPAC Namesilver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].CCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].[Ag+].[Na+]
InChIInChI=1S/2C21H43NO3S.Ag.Na/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25;;/h2*10-11H,3-9,12-21H2,1-2H3,(H,23,24,25);;/q;;2*+1/p-2/b2*11-10-;;
InChIKeyDQIIACSQJBOLJD-SMLRXQOISA-L
XLogP8.00
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds38
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.13
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate) with MolForge

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Related Compounds

sodium 2-[methyl(octadecyl)amino]ethanesulfonate
CID 87283536
(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine;sulfuric acid
CID 121330534
CID 170843362
CID 170843362
potassium;hydride;2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonic acid
CID 173121917
azanium (Z)-nonadec-10-ene-1-sulfonate
CID 162350746
sodium 2-[methyl-[(E)-tridec-2-enoyl]amino]ethanesulfonate
CID 101283600
sodium 2-[methyl-[(E)-octadec-2-enoyl]amino]ethanesulfonate
CID 101283620
sodium (E)-tritriacont-2-ene-1-sulfonate
CID 102060459
sodium 4-[methyl-[(E)-tetradec-2-enoyl]amino]butane-1-sulfonate
CID 101284623
sodium 4-[methyl-[(E)-tetracos-2-enoyl]amino]butane-1-sulfonate
CID 101284684
potassium 2-[[(E)-docos-11-enoyl]-methylamino]ethanesulfonate
CID 101283664
potassium 2-[methyl-[(E)-pentadec-2-enoyl]amino]ethanesulfonate
CID 101283610

Frequently Asked Questions

What is the IUPAC name of silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)?
The IUPAC name of silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate) (CID 159978293) is silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate).
What is the SMILES notation for silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)?
The canonical SMILES for silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate) is CCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].CCCCCCCC/C=C\CCCCCCCCN(C)CCS(=O)(=O)[O-].[Ag+].[Na+].
What is the InChIKey of silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)?
The InChIKey is DQIIACSQJBOLJD-SMLRXQOISA-L. The full InChI is InChI=1S/2C21H43NO3S.Ag.Na/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25;;/h2*10-11H,3-9,12-21H2,1-2H3,(H,23,24,25);;/q;;2*+1/p-2/b2*11-10-;;.
What are the key properties of silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate)?
silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate) has a molecular weight of 908.13 g/mol, XLogP of 8.00, 38 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for silver;sodium;bis(2-[methyl-[(Z)-octadec-9-enyl]amino]ethanesulfonate) is sourced from PubChem (CID 159978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).