2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine

C10H12N2S2 — CID 134839997

IUPAC2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
SMILESCc1sccc1NCc1sccc1N
InChIInChI=1S/C10H12N2S2/c1-7-9(3-5-13-7)12-6-10-8(11)2-4-14-10/h2-5,12H,6,11H2,1H3
InChIKeyLSLKCNZLQWKXHY-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.31
Rot. Bonds3

About 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine

2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine (PubChem CID 134839997) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
PubChem CID134839997
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
SMILESCc1sccc1NCc1sccc1N
InChIInChI=1S/C10H12N2S2/c1-7-9(3-5-13-7)12-6-10-8(11)2-4-14-10/h2-5,12H,6,11H2,1H3
InChIKeyLSLKCNZLQWKXHY-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine (CID 134839997) is 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine is Cc1sccc1NCc1sccc1N.
What is the InChIKey of 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine?
The InChIKey is LSLKCNZLQWKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-9(3-5-13-7)12-6-10-8(11)2-4-14-10/h2-5,12H,6,11H2,1H3.
What are the key properties of 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine?
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine has a molecular weight of 224.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine is sourced from PubChem (CID 134839997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).