1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C15H19NOS2 — CID 43435316

IUPAC1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)C1CCCO1
InChIInChI=1S/C15H19NOS2/c1-11(14-4-2-6-17-14)16-9-13-8-12(10-19-13)15-5-3-7-18-15/h3,5,7-8,10-11,14,16H,2,4,6,9H2,1H3
InChIKeyOJUHZVMOPZNMQJ-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.13
Rot. Bonds5

About 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 43435316) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID43435316
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1cc(-c2cccs2)cs1)C1CCCO1
InChIInChI=1S/C15H19NOS2/c1-11(14-4-2-6-17-14)16-9-13-8-12(10-19-13)15-5-3-7-18-15/h3,5,7-8,10-11,14,16H,2,4,6,9H2,1H3
InChIKeyOJUHZVMOPZNMQJ-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 43435316) is 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is CC(NCc1cc(-c2cccs2)cs1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OJUHZVMOPZNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-11(14-4-2-6-17-14)16-9-13-8-12(10-19-13)15-5-3-7-18-15/h3,5,7-8,10-11,14,16H,2,4,6,9H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43435316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).