decyl-(ethylsulfanylmethyl)-dimethylazanium

C15H34NS+ — CID 14625677

IUPACdecyl-(ethylsulfanylmethyl)-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)CSCC
InChIInChI=1S/C15H34NS/c1-5-7-8-9-10-11-12-13-14-16(3,4)15-17-6-2/h5-15H2,1-4H3/q+1
InChIKeyLGJXPSZOXNCZFW-UHFFFAOYSA-N
MW260.51 g/mol
LogP4.91
Rot. Bonds12

About decyl-(ethylsulfanylmethyl)-dimethylazanium

decyl-(ethylsulfanylmethyl)-dimethylazanium (PubChem CID 14625677) has the molecular formula C15H34NS+ and a molecular weight of 260.51 g/mol. Its IUPAC name is decyl-(ethylsulfanylmethyl)-dimethylazanium.

Molecular Properties

Compound Namedecyl-(ethylsulfanylmethyl)-dimethylazanium
PubChem CID14625677
Molecular FormulaC15H34NS+
Molecular Weight260.51 g/mol
Exact Mass260.24
IUPAC Namedecyl-(ethylsulfanylmethyl)-dimethylazanium
SMILESCCCCCCCCCC[N+](C)(C)CSCC
InChIInChI=1S/C15H34NS/c1-5-7-8-9-10-11-12-13-14-16(3,4)15-17-6-2/h5-15H2,1-4H3/q+1
InChIKeyLGJXPSZOXNCZFW-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of decyl-(ethylsulfanylmethyl)-dimethylazanium?
The IUPAC name of decyl-(ethylsulfanylmethyl)-dimethylazanium (CID 14625677) is decyl-(ethylsulfanylmethyl)-dimethylazanium.
What is the SMILES notation for decyl-(ethylsulfanylmethyl)-dimethylazanium?
The canonical SMILES for decyl-(ethylsulfanylmethyl)-dimethylazanium is CCCCCCCCCC[N+](C)(C)CSCC.
What is the InChIKey of decyl-(ethylsulfanylmethyl)-dimethylazanium?
The InChIKey is LGJXPSZOXNCZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NS/c1-5-7-8-9-10-11-12-13-14-16(3,4)15-17-6-2/h5-15H2,1-4H3/q+1.
What are the key properties of decyl-(ethylsulfanylmethyl)-dimethylazanium?
decyl-(ethylsulfanylmethyl)-dimethylazanium has a molecular weight of 260.51 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-(ethylsulfanylmethyl)-dimethylazanium is sourced from PubChem (CID 14625677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).