3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde

C14H19NO2S — CID 79182841

IUPAC3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde
SMILESCCN1CCOC(CSc2cccc(C=O)c2)C1
InChIInChI=1S/C14H19NO2S/c1-2-15-6-7-17-13(9-15)11-18-14-5-3-4-12(8-14)10-16/h3-5,8,10,13H,2,6-7,9,11H2,1H3
InChIKeyHYAGBBDQSMWUAT-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.31
Rot. Bonds5

About 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde

3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde (PubChem CID 79182841) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde
PubChem CID79182841
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde
SMILESCCN1CCOC(CSc2cccc(C=O)c2)C1
InChIInChI=1S/C14H19NO2S/c1-2-15-6-7-17-13(9-15)11-18-14-5-3-4-12(8-14)10-16/h3-5,8,10,13H,2,6-7,9,11H2,1H3
InChIKeyHYAGBBDQSMWUAT-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
CID 79182621
3-[(4-methylmorpholin-2-yl)methylsulfanyl]phenol
CID 104590668
4-chloro-3-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171348
3-bromo-4-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 82841559
5-bromo-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171648
2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
3-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 64535093
4-ethoxy-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79527456
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
3-ethoxy-2-[(4-ethylmorpholin-2-yl)methoxy]benzaldehyde
CID 79175397
2-(3-formylphenyl)sulfanyl-N-methylacetamide
CID 66356193

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde (CID 79182841) is 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde is CCN1CCOC(CSc2cccc(C=O)c2)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde?
The InChIKey is HYAGBBDQSMWUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-15-6-7-17-13(9-15)11-18-14-5-3-4-12(8-14)10-16/h3-5,8,10,13H,2,6-7,9,11H2,1H3.
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde?
3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde has a molecular weight of 265.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde is sourced from PubChem (CID 79182841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).