decyl-dimethyl-(11-sulfanylundecyl)azanium

C23H50NS+ — CID 25269620

IUPACdecyl-dimethyl-(11-sulfanylundecyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCS
InChIInChI=1S/C23H49NS/c1-4-5-6-7-8-12-15-18-21-24(2,3)22-19-16-13-10-9-11-14-17-20-23-25/h4-23H2,1-3H3/p+1
InChIKeyNACXIFUOYUDAJZ-UHFFFAOYSA-O
MW372.73 g/mol
LogP7.64
Rot. Bonds20

About decyl-dimethyl-(11-sulfanylundecyl)azanium

decyl-dimethyl-(11-sulfanylundecyl)azanium (PubChem CID 25269620) has the molecular formula C23H50NS+ and a molecular weight of 372.73 g/mol. Its IUPAC name is decyl-dimethyl-(11-sulfanylundecyl)azanium.

Molecular Properties

Compound Namedecyl-dimethyl-(11-sulfanylundecyl)azanium
PubChem CID25269620
Molecular FormulaC23H50NS+
Molecular Weight372.73 g/mol
Exact Mass372.37
IUPAC Namedecyl-dimethyl-(11-sulfanylundecyl)azanium
SMILESCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCS
InChIInChI=1S/C23H49NS/c1-4-5-6-7-8-12-15-18-21-24(2,3)22-19-16-13-10-9-11-14-17-20-23-25/h4-23H2,1-3H3/p+1
InChIKeyNACXIFUOYUDAJZ-UHFFFAOYSA-O
XLogP7.64
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of decyl-dimethyl-(11-sulfanylundecyl)azanium?
The IUPAC name of decyl-dimethyl-(11-sulfanylundecyl)azanium (CID 25269620) is decyl-dimethyl-(11-sulfanylundecyl)azanium.
What is the SMILES notation for decyl-dimethyl-(11-sulfanylundecyl)azanium?
The canonical SMILES for decyl-dimethyl-(11-sulfanylundecyl)azanium is CCCCCCCCCC[N+](C)(C)CCCCCCCCCCCS.
What is the InChIKey of decyl-dimethyl-(11-sulfanylundecyl)azanium?
The InChIKey is NACXIFUOYUDAJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H49NS/c1-4-5-6-7-8-12-15-18-21-24(2,3)22-19-16-13-10-9-11-14-17-20-23-25/h4-23H2,1-3H3/p+1.
What are the key properties of decyl-dimethyl-(11-sulfanylundecyl)azanium?
decyl-dimethyl-(11-sulfanylundecyl)azanium has a molecular weight of 372.73 g/mol, XLogP of 7.64, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-(11-sulfanylundecyl)azanium is sourced from PubChem (CID 25269620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).