(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium

C11H14NS2+ — CID 7407070

IUPAC(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(C[NH2+]Cc2cccs2)s1
InChIInChI=1S/C11H13NS2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h2-6,12H,7-8H2,1H3/p+1
InChIKeyLFAPNUJMRRIHKY-UHFFFAOYSA-O
MW224.37 g/mol
LogP2.38
Rot. Bonds4

About (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium

(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 7407070) has the molecular formula C11H14NS2+ and a molecular weight of 224.37 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium
PubChem CID7407070
Molecular FormulaC11H14NS2+
Molecular Weight224.37 g/mol
Exact Mass224.06
IUPAC Name(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(C[NH2+]Cc2cccs2)s1
InChIInChI=1S/C11H13NS2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h2-6,12H,7-8H2,1H3/p+1
InChIKeyLFAPNUJMRRIHKY-UHFFFAOYSA-O
XLogP2.38
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium (CID 7407070) is (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium is Cc1ccc(C[NH2+]Cc2cccs2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is LFAPNUJMRRIHKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13NS2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h2-6,12H,7-8H2,1H3/p+1.
What are the key properties of (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium?
(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 224.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7407070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).