trimethyl(10-sulfanyldecyl)azanium

C13H30NS+ — CID 22138737

IUPACtrimethyl(10-sulfanyldecyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCS
InChIInChI=1S/C13H29NS/c1-14(2,3)12-10-8-6-4-5-7-9-11-13-15/h4-13H2,1-3H3/p+1
InChIKeyKTQOECQBZBWUGP-UHFFFAOYSA-O
MW232.46 g/mol
LogP3.74
Rot. Bonds10

About trimethyl(10-sulfanyldecyl)azanium

trimethyl(10-sulfanyldecyl)azanium (PubChem CID 22138737) has the molecular formula C13H30NS+ and a molecular weight of 232.46 g/mol. Its IUPAC name is trimethyl(10-sulfanyldecyl)azanium.

Molecular Properties

Compound Nametrimethyl(10-sulfanyldecyl)azanium
PubChem CID22138737
Molecular FormulaC13H30NS+
Molecular Weight232.46 g/mol
Exact Mass232.21
IUPAC Nametrimethyl(10-sulfanyldecyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCS
InChIInChI=1S/C13H29NS/c1-14(2,3)12-10-8-6-4-5-7-9-11-13-15/h4-13H2,1-3H3/p+1
InChIKeyKTQOECQBZBWUGP-UHFFFAOYSA-O
XLogP3.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 53.74
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 trimethyl(10-sulfanyldecyl)azanium?
The IUPAC name of trimethyl(10-sulfanyldecyl)azanium (CID 22138737) is trimethyl(10-sulfanyldecyl)azanium.
What is the SMILES notation for trimethyl(10-sulfanyldecyl)azanium?
The canonical SMILES for trimethyl(10-sulfanyldecyl)azanium is C[N+](C)(C)CCCCCCCCCCS.
What is the InChIKey of trimethyl(10-sulfanyldecyl)azanium?
The InChIKey is KTQOECQBZBWUGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H29NS/c1-14(2,3)12-10-8-6-4-5-7-9-11-13-15/h4-13H2,1-3H3/p+1.
What are the key properties of trimethyl(10-sulfanyldecyl)azanium?
trimethyl(10-sulfanyldecyl)azanium has a molecular weight of 232.46 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(10-sulfanyldecyl)azanium is sourced from PubChem (CID 22138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).