3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

C13H17NOS2 — CID 43433630

IUPAC3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C13H17NOS2/c1-15-6-3-5-14-9-12-8-11(10-17-12)13-4-2-7-16-13/h2,4,7-8,10,14H,3,5-6,9H2,1H3
InChIKeyQNHQXTGAWOQPER-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.60
Rot. Bonds7

About 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43433630) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43433630
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C13H17NOS2/c1-15-6-3-5-14-9-12-8-11(10-17-12)13-4-2-7-16-13/h2,4,7-8,10,14H,3,5-6,9H2,1H3
InChIKeyQNHQXTGAWOQPER-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.60
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 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43433630) is 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is COCCCNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is QNHQXTGAWOQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-15-6-3-5-14-9-12-8-11(10-17-12)13-4-2-7-16-13/h2,4,7-8,10,14H,3,5-6,9H2,1H3.
What are the key properties of 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43433630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).