5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid

C10H12O6S — CID 63943374

IUPAC5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)CC2CCOC2)o1
InChIInChI=1S/C10H12O6S/c11-10(12)8-1-2-9(16-8)17(13,14)6-7-3-4-15-5-7/h1-2,7H,3-6H2,(H,11,12)
InChIKeyZEWPYSLQDJZWPY-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.79
Rot. Bonds4

About 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid

5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid (PubChem CID 63943374) has the molecular formula C10H12O6S and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
PubChem CID63943374
Molecular FormulaC10H12O6S
Molecular Weight260.27 g/mol
Exact Mass260.04
IUPAC Name5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)CC2CCOC2)o1
InChIInChI=1S/C10H12O6S/c11-10(12)8-1-2-9(16-8)17(13,14)6-7-3-4-15-5-7/h1-2,7H,3-6H2,(H,11,12)
InChIKeyZEWPYSLQDJZWPY-UHFFFAOYSA-N
XLogP0.79
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63943182
5-(1-oxaspiro[4.4]nonan-2-ylmethylsulfonyl)furan-2-carboxylic acid
CID 102898142
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213
5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 54907359
5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 106773973
5-[(3,4-dichlorophenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63943575
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
CID 63943954
lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone
CID 175437186
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
CID 156824580
3-(oxolan-3-ylmethylsulfonyl)propanoic acid
CID 61313025
4-[2-(oxan-4-yl)ethyl]benzoic acid
CID 134814520

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid (CID 63943374) is 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)CC2CCOC2)o1.
What is the InChIKey of 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid?
The InChIKey is ZEWPYSLQDJZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6S/c11-10(12)8-1-2-9(16-8)17(13,14)6-7-3-4-15-5-7/h1-2,7H,3-6H2,(H,11,12).
What are the key properties of 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid?
5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid is sourced from PubChem (CID 63943374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).