2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine

C12H15N3S — CID 114955158

IUPAC2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine
SMILESCc1ccncc1CNCc1sccc1N
InChIInChI=1S/C12H15N3S/c1-9-2-4-14-6-10(9)7-15-8-12-11(13)3-5-16-12/h2-6,15H,7-8,13H2,1H3
InChIKeyFJYLMNZDHPZCEP-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.32
Rot. Bonds4

About 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine

2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine (PubChem CID 114955158) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine
PubChem CID114955158
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine
SMILESCc1ccncc1CNCc1sccc1N
InChIInChI=1S/C12H15N3S/c1-9-2-4-14-6-10(9)7-15-8-12-11(13)3-5-16-12/h2-6,15H,7-8,13H2,1H3
InChIKeyFJYLMNZDHPZCEP-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine 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 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine (CID 114955158) is 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine is Cc1ccncc1CNCc1sccc1N.
What is the InChIKey of 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine?
The InChIKey is FJYLMNZDHPZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-2-4-14-6-10(9)7-15-8-12-11(13)3-5-16-12/h2-6,15H,7-8,13H2,1H3.
What are the key properties of 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine?
2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine has a molecular weight of 233.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 114955158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).