N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine

C12H15NOS — CID 106887386

IUPACN-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2csc(C)c2)o1
InChIInChI=1S/C12H15NOS/c1-3-13-7-11-4-5-12(14-11)10-6-9(2)15-8-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyVELKJFHFIWSPBX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.43
Rot. Bonds4

About N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine

N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine (PubChem CID 106887386) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
PubChem CID106887386
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2csc(C)c2)o1
InChIInChI=1S/C12H15NOS/c1-3-13-7-11-4-5-12(14-11)10-6-9(2)15-8-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyVELKJFHFIWSPBX-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine (CID 106887386) is N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2csc(C)c2)o1.
What is the InChIKey of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is VELKJFHFIWSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-13-7-11-4-5-12(14-11)10-6-9(2)15-8-10/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine?
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).