trimethyl(2-methylsulfanylethyl)azanium

C6H16NS+ — CID 13028499

IUPACtrimethyl(2-methylsulfanylethyl)azanium
SMILESCSCC[N+](C)(C)C
InChIInChI=1S/C6H16NS/c1-7(2,3)5-6-8-4/h5-6H2,1-4H3/q+1
InChIKeyBJMXBGCPCBRIDD-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.06
Rot. Bonds3

About trimethyl(2-methylsulfanylethyl)azanium

trimethyl(2-methylsulfanylethyl)azanium (PubChem CID 13028499) has the molecular formula C6H16NS+ and a molecular weight of 134.27 g/mol. Its IUPAC name is trimethyl(2-methylsulfanylethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-methylsulfanylethyl)azanium
PubChem CID13028499
Molecular FormulaC6H16NS+
Molecular Weight134.27 g/mol
Exact Mass134.10
IUPAC Nametrimethyl(2-methylsulfanylethyl)azanium
SMILESCSCC[N+](C)(C)C
InChIInChI=1S/C6H16NS/c1-7(2,3)5-6-8-4/h5-6H2,1-4H3/q+1
InChIKeyBJMXBGCPCBRIDD-UHFFFAOYSA-N
XLogP1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-methylsulfanylethyl)azanium?
The IUPAC name of trimethyl(2-methylsulfanylethyl)azanium (CID 13028499) is trimethyl(2-methylsulfanylethyl)azanium.
What is the SMILES notation for trimethyl(2-methylsulfanylethyl)azanium?
The canonical SMILES for trimethyl(2-methylsulfanylethyl)azanium is CSCC[N+](C)(C)C.
What is the InChIKey of trimethyl(2-methylsulfanylethyl)azanium?
The InChIKey is BJMXBGCPCBRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NS/c1-7(2,3)5-6-8-4/h5-6H2,1-4H3/q+1.
What are the key properties of trimethyl(2-methylsulfanylethyl)azanium?
trimethyl(2-methylsulfanylethyl)azanium has a molecular weight of 134.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylsulfanylethyl)azanium is sourced from PubChem (CID 13028499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).