5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde

C11H14O4S — CID 106497234

IUPAC5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(CS(=O)CC2CCCO2)o1
InChIInChI=1S/C11H14O4S/c12-6-9-3-4-11(15-9)8-16(13)7-10-2-1-5-14-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyWZDDVEYVTOTWKW-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.52
Rot. Bonds5

About 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde

5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde (PubChem CID 106497234) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde
PubChem CID106497234
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(CS(=O)CC2CCCO2)o1
InChIInChI=1S/C11H14O4S/c12-6-9-3-4-11(15-9)8-16(13)7-10-2-1-5-14-10/h3-4,6,10H,1-2,5,7-8H2
InChIKeyWZDDVEYVTOTWKW-UHFFFAOYSA-N
XLogP1.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.52
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

2-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495315
2-chloro-5-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495314
3-chloro-4-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495246
3-(oxolan-2-ylmethylsulfinylmethyl)-1-benzofuran-2-carboxylic acid
CID 106495202
4-(oxolan-2-ylmethylsulfinylmethyl)-3-(trifluoromethyl)aniline
CID 106495284
2-[2-(oxolan-2-ylmethylsulfinyl)ethoxy]aniline
CID 106495271
N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
CID 106495313
3-fluoro-5-(oxolan-2-ylmethylsulfinylmethyl)benzonitrile
CID 106497369
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960340

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde (CID 106497234) is 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde is O=Cc1ccc(CS(=O)CC2CCCO2)o1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde?
The InChIKey is WZDDVEYVTOTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c12-6-9-3-4-11(15-9)8-16(13)7-10-2-1-5-14-10/h3-4,6,10H,1-2,5,7-8H2.
What are the key properties of 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde?
5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde has a molecular weight of 242.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfinylmethyl)furan-2-carbaldehyde is sourced from PubChem (CID 106497234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).