azanium (Z)-nonadec-10-ene-1-sulfonate

C19H41NO3S — CID 162350746

IUPACazanium (Z)-nonadec-10-ene-1-sulfonate
SMILESCCCCCCCC/C=C\CCCCCCCCCS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C19H38O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22;/h9-10H,2-8,11-19H2,1H3,(H,20,21,22);1H3/b10-9-;
InChIKeyDAINOLNRHJHUEZ-KVVVOXFISA-N
MW363.61 g/mol
LogP6.34
Rot. Bonds17

About azanium (Z)-nonadec-10-ene-1-sulfonate

azanium (Z)-nonadec-10-ene-1-sulfonate (PubChem CID 162350746) has the molecular formula C19H41NO3S and a molecular weight of 363.61 g/mol. Its IUPAC name is azanium (Z)-nonadec-10-ene-1-sulfonate.

Molecular Properties

Compound Nameazanium (Z)-nonadec-10-ene-1-sulfonate
PubChem CID162350746
Molecular FormulaC19H41NO3S
Molecular Weight363.61 g/mol
Exact Mass363.28
IUPAC Nameazanium (Z)-nonadec-10-ene-1-sulfonate
SMILESCCCCCCCC/C=C\CCCCCCCCCS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C19H38O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22;/h9-10H,2-8,11-19H2,1H3,(H,20,21,22);1H3/b10-9-;
InChIKeyDAINOLNRHJHUEZ-KVVVOXFISA-N
XLogP6.34
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
sodium dodecane-1-sulfonate
CID 23665726
potassium tridecane-1-sulfonate
CID 23711351
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
zinc bis(tetradecane-1-sulfonate)
CID 139716467
tris(dodecane-1-sulfonate);scandium(3+)
CID 11650744

Frequently Asked Questions

What is the IUPAC name of azanium (Z)-nonadec-10-ene-1-sulfonate?
The IUPAC name of azanium (Z)-nonadec-10-ene-1-sulfonate (CID 162350746) is azanium (Z)-nonadec-10-ene-1-sulfonate.
What is the SMILES notation for azanium (Z)-nonadec-10-ene-1-sulfonate?
The canonical SMILES for azanium (Z)-nonadec-10-ene-1-sulfonate is CCCCCCCC/C=C\CCCCCCCCCS(=O)(=O)[O-].[NH4+].
What is the InChIKey of azanium (Z)-nonadec-10-ene-1-sulfonate?
The InChIKey is DAINOLNRHJHUEZ-KVVVOXFISA-N. The full InChI is InChI=1S/C19H38O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22;/h9-10H,2-8,11-19H2,1H3,(H,20,21,22);1H3/b10-9-;.
What are the key properties of azanium (Z)-nonadec-10-ene-1-sulfonate?
azanium (Z)-nonadec-10-ene-1-sulfonate has a molecular weight of 363.61 g/mol, XLogP of 6.34, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (Z)-nonadec-10-ene-1-sulfonate is sourced from PubChem (CID 162350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).