N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine

C14H17NO2S — CID 19917104

IUPACN-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COC/C=C/c2ccsc2)o1
InChIInChI=1S/C14H17NO2S/c1-15-9-13-4-5-14(17-13)10-16-7-2-3-12-6-8-18-11-12/h2-6,8,11,15H,7,9-10H2,1H3/b3-2+
InChIKeyIOSGFLXKVZIFCA-NSCUHMNNSA-N
MW263.36 g/mol
LogP3.29
Rot. Bonds7

About N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine

N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine (PubChem CID 19917104) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine
PubChem CID19917104
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COC/C=C/c2ccsc2)o1
InChIInChI=1S/C14H17NO2S/c1-15-9-13-4-5-14(17-13)10-16-7-2-3-12-6-8-18-11-12/h2-6,8,11,15H,7,9-10H2,1H3/b3-2+
InChIKeyIOSGFLXKVZIFCA-NSCUHMNNSA-N
XLogP3.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine (CID 19917104) is N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine is CNCc1ccc(COC/C=C/c2ccsc2)o1.
What is the InChIKey of N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine?
The InChIKey is IOSGFLXKVZIFCA-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-15-9-13-4-5-14(17-13)10-16-7-2-3-12-6-8-18-11-12/h2-6,8,11,15H,7,9-10H2,1H3/b3-2+.
What are the key properties of N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 19917104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).