trimethyl(thiophen-2-ylmethyl)azanium

C8H14NS+ — CID 4851589

IUPACtrimethyl(thiophen-2-ylmethyl)azanium
SMILESC[N+](C)(C)Cc1cccs1
InChIInChI=1S/C8H14NS/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1
InChIKeyXEMORIDZDJGMSC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.95
Rot. Bonds2

About trimethyl(thiophen-2-ylmethyl)azanium

trimethyl(thiophen-2-ylmethyl)azanium (PubChem CID 4851589) has the molecular formula C8H14NS+ and a molecular weight of 156.27 g/mol. Its IUPAC name is trimethyl(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Nametrimethyl(thiophen-2-ylmethyl)azanium
PubChem CID4851589
Molecular FormulaC8H14NS+
Molecular Weight156.27 g/mol
Exact Mass156.08
IUPAC Nametrimethyl(thiophen-2-ylmethyl)azanium
SMILESC[N+](C)(C)Cc1cccs1
InChIInChI=1S/C8H14NS/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1
InChIKeyXEMORIDZDJGMSC-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.95
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(thiophen-2-ylmethyl)azanium?
The IUPAC name of trimethyl(thiophen-2-ylmethyl)azanium (CID 4851589) is trimethyl(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for trimethyl(thiophen-2-ylmethyl)azanium?
The canonical SMILES for trimethyl(thiophen-2-ylmethyl)azanium is C[N+](C)(C)Cc1cccs1.
What is the InChIKey of trimethyl(thiophen-2-ylmethyl)azanium?
The InChIKey is XEMORIDZDJGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NS/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1.
What are the key properties of trimethyl(thiophen-2-ylmethyl)azanium?
trimethyl(thiophen-2-ylmethyl)azanium has a molecular weight of 156.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 4851589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).