2-thiophen-2-ylmorpholine-4-carbaldehyde

C9H11NO2S — CID 122586014

IUPAC2-thiophen-2-ylmorpholine-4-carbaldehyde
SMILESO=CN1CCOC(c2cccs2)C1
InChIInChI=1S/C9H11NO2S/c11-7-10-3-4-12-8(6-10)9-2-1-5-13-9/h1-2,5,7-8H,3-4,6H2
InChIKeyPPNNJGXQRKASGV-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.28
Rot. Bonds2

About 2-thiophen-2-ylmorpholine-4-carbaldehyde

2-thiophen-2-ylmorpholine-4-carbaldehyde (PubChem CID 122586014) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-thiophen-2-ylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-thiophen-2-ylmorpholine-4-carbaldehyde
PubChem CID122586014
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-thiophen-2-ylmorpholine-4-carbaldehyde
SMILESO=CN1CCOC(c2cccs2)C1
InChIInChI=1S/C9H11NO2S/c11-7-10-3-4-12-8(6-10)9-2-1-5-13-9/h1-2,5,7-8H,3-4,6H2
InChIKeyPPNNJGXQRKASGV-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylmorpholine-4-carbaldehyde?
The IUPAC name of 2-thiophen-2-ylmorpholine-4-carbaldehyde (CID 122586014) is 2-thiophen-2-ylmorpholine-4-carbaldehyde.
What is the SMILES notation for 2-thiophen-2-ylmorpholine-4-carbaldehyde?
The canonical SMILES for 2-thiophen-2-ylmorpholine-4-carbaldehyde is O=CN1CCOC(c2cccs2)C1.
What is the InChIKey of 2-thiophen-2-ylmorpholine-4-carbaldehyde?
The InChIKey is PPNNJGXQRKASGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-7-10-3-4-12-8(6-10)9-2-1-5-13-9/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 2-thiophen-2-ylmorpholine-4-carbaldehyde?
2-thiophen-2-ylmorpholine-4-carbaldehyde has a molecular weight of 197.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylmorpholine-4-carbaldehyde is sourced from PubChem (CID 122586014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).