trimethyl(11-sulfanylundecyl)azanium

C14H32NS+ — CID 25269275

IUPACtrimethyl(11-sulfanylundecyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCCS
InChIInChI=1S/C14H31NS/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16/h4-14H2,1-3H3/p+1
InChIKeyJIGFLAFZCXIKIU-UHFFFAOYSA-O
MW246.48 g/mol
LogP4.13
Rot. Bonds11

About trimethyl(11-sulfanylundecyl)azanium

trimethyl(11-sulfanylundecyl)azanium (PubChem CID 25269275) has the molecular formula C14H32NS+ and a molecular weight of 246.48 g/mol. Its IUPAC name is trimethyl(11-sulfanylundecyl)azanium.

Molecular Properties

Compound Nametrimethyl(11-sulfanylundecyl)azanium
PubChem CID25269275
Molecular FormulaC14H32NS+
Molecular Weight246.48 g/mol
Exact Mass246.22
IUPAC Nametrimethyl(11-sulfanylundecyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCCS
InChIInChI=1S/C14H31NS/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16/h4-14H2,1-3H3/p+1
InChIKeyJIGFLAFZCXIKIU-UHFFFAOYSA-O
XLogP4.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.48
LogP ≤ 54.13
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(11-sulfanylundecyl)azanium?
The IUPAC name of trimethyl(11-sulfanylundecyl)azanium (CID 25269275) is trimethyl(11-sulfanylundecyl)azanium.
What is the SMILES notation for trimethyl(11-sulfanylundecyl)azanium?
The canonical SMILES for trimethyl(11-sulfanylundecyl)azanium is C[N+](C)(C)CCCCCCCCCCCS.
What is the InChIKey of trimethyl(11-sulfanylundecyl)azanium?
The InChIKey is JIGFLAFZCXIKIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H31NS/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16/h4-14H2,1-3H3/p+1.
What are the key properties of trimethyl(11-sulfanylundecyl)azanium?
trimethyl(11-sulfanylundecyl)azanium has a molecular weight of 246.48 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(11-sulfanylundecyl)azanium is sourced from PubChem (CID 25269275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).