5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde

C20H20FNOS — CID 118897907

IUPAC5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(C2CC2)c(-c2ccc(F)cc2)cc1N1CCSCC1
InChIInChI=1S/C20H20FNOS/c21-17-5-3-15(4-6-17)19-12-20(22-7-9-24-10-8-22)16(13-23)11-18(19)14-1-2-14/h3-6,11-14H,1-2,7-10H2
InChIKeySFAVDSWSZRTAIC-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.74
Rot. Bonds4

About 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde

5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde (PubChem CID 118897907) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde
PubChem CID118897907
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(C2CC2)c(-c2ccc(F)cc2)cc1N1CCSCC1
InChIInChI=1S/C20H20FNOS/c21-17-5-3-15(4-6-17)19-12-20(22-7-9-24-10-8-22)16(13-23)11-18(19)14-1-2-14/h3-6,11-14H,1-2,7-10H2
InChIKeySFAVDSWSZRTAIC-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Phenylpiperidin-1-yl)-4-fluorobenzaldehyde
CID 129753326
2-(4-Phenylpiperidin-1-yl)-5-trifluoromethyl-benzaldehyde
CID 129752971
2-Thiomorpholino-5-trifluoromethylbenzaldehyde
CID 129799689
2-Cyclopropyl-4'-fluoro-5-(morpholin-4-yl)biphenyl-4-carbaldehyde
CID 90423245
2-[4-[3-(Trifluoromethyl)phenyl]piperidin-1-yl]benzaldehyde
CID 91382105
Methyl 2-cyclopropyl-4'-fluoro-5-(thiomorpholin-4-yl)biphenyl-4-carboxylate
CID 118897573
2-Thiomorpholin-4-yl-4-(trifluoromethyl)benzaldehyde
CID 129183063
6-(Methylsulfanylmethyl)-2-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one
CID 134422508
2-[Cyclopropyl-(4-methyl-3-oxo-1,2-thiazol-5-yl)amino]-5-fluoro-4-(3-piperidin-2-ylphenyl)benzaldehyde
CID 143007652
2-[4-(2,6-Difluorophenyl)piperidin-1-yl]benzaldehyde
CID 156503597
2-(4-Phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde
CID 156786560
5-[4-(Trifluoromethyl)piperidin-1-yl]naphthalene-2-carbaldehyde
CID 166552488

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde?
The IUPAC name of 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde (CID 118897907) is 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde.
What is the SMILES notation for 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde?
The canonical SMILES for 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde is O=Cc1cc(C2CC2)c(-c2ccc(F)cc2)cc1N1CCSCC1.
What is the InChIKey of 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde?
The InChIKey is SFAVDSWSZRTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNOS/c21-17-5-3-15(4-6-17)19-12-20(22-7-9-24-10-8-22)16(13-23)11-18(19)14-1-2-14/h3-6,11-14H,1-2,7-10H2.
What are the key properties of 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde?
5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde has a molecular weight of 341.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzaldehyde is sourced from PubChem (CID 118897907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).