5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde

C16H15NO3S — CID 169333844

IUPAC5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(=O)N2CCSCC2)o1
InChIInChI=1S/C16H15NO3S/c18-11-12-5-6-15(20-12)13-3-1-2-4-14(13)16(19)17-7-9-21-10-8-17/h1-6,11H,7-10H2
InChIKeyNKMCDLVRMXMROZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.95
Rot. Bonds3

About 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde

5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde (PubChem CID 169333844) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
PubChem CID169333844
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(=O)N2CCSCC2)o1
InChIInChI=1S/C16H15NO3S/c18-11-12-5-6-15(20-12)13-3-1-2-4-14(13)16(19)17-7-9-21-10-8-17/h1-6,11H,7-10H2
InChIKeyNKMCDLVRMXMROZ-UHFFFAOYSA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde 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

5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332261
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646
2-(1,4-thiazepane-4-carbonyl)benzoic acid
CID 61419510
2-methylpropyl 2-(5-formylfuran-2-yl)benzoate
CID 169331925
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754
N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide
CID 72875097

Frequently Asked Questions

What is the IUPAC name of 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde (CID 169333844) is 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccccc2C(=O)N2CCSCC2)o1.
What is the InChIKey of 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde?
The InChIKey is NKMCDLVRMXMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-11-12-5-6-15(20-12)13-3-1-2-4-14(13)16(19)17-7-9-21-10-8-17/h1-6,11H,7-10H2.
What are the key properties of 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde?
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde has a molecular weight of 301.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).