(4-methylthiophen-2-yl)methanamine

C6H9NS — CID 2795528

IUPAC(4-methylthiophen-2-yl)methanamine
SMILESCc1csc(CN)c1
InChIInChI=1S/C6H9NS/c1-5-2-6(3-7)8-4-5/h2,4H,3,7H2,1H3
InChIKeyCKQHNKAVFNDGMK-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.52
Rot. Bonds1

About (4-methylthiophen-2-yl)methanamine

(4-methylthiophen-2-yl)methanamine (PubChem CID 2795528) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)methanamine
PubChem CID2795528
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(4-methylthiophen-2-yl)methanamine
SMILESCc1csc(CN)c1
InChIInChI=1S/C6H9NS/c1-5-2-6(3-7)8-4-5/h2,4H,3,7H2,1H3
InChIKeyCKQHNKAVFNDGMK-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methylthiophen-2-yl)methanamine 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 (4-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-methylthiophen-2-yl)methanamine (CID 2795528) is (4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-methylthiophen-2-yl)methanamine is Cc1csc(CN)c1.
What is the InChIKey of (4-methylthiophen-2-yl)methanamine?
The InChIKey is CKQHNKAVFNDGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-2-6(3-7)8-4-5/h2,4H,3,7H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)methanamine?
(4-methylthiophen-2-yl)methanamine has a molecular weight of 127.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 2795528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).