2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid

C11H14O6S — CID 106493679

IUPAC2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H14O6S/c12-11(13)9-3-5-17-10(9)7-18(14,15)6-8-2-1-4-16-8/h3,5,8H,1-2,4,6-7H2,(H,12,13)
InChIKeySQIAHJCWTNFJFE-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.07
Rot. Bonds5

About 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid

2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid (PubChem CID 106493679) has the molecular formula C11H14O6S and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid
PubChem CID106493679
Molecular FormulaC11H14O6S
Molecular Weight274.29 g/mol
Exact Mass274.05
IUPAC Name2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H14O6S/c12-11(13)9-3-5-17-10(9)7-18(14,15)6-8-2-1-4-16-8/h3,5,8H,1-2,4,6-7H2,(H,12,13)
InChIKeySQIAHJCWTNFJFE-UHFFFAOYSA-N
XLogP1.07
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
2-chloro-4-(oxolan-2-ylmethylsulfonylmethyl)pyridine
CID 122135921
N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 106496015
1-(2-bromophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497076
1-(4-chlorophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497088
2-(oxolan-2-ylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 63654102
N-[[5-(oxolan-2-ylmethylsulfonylmethyl)furan-2-yl]methyl]propan-2-amine
CID 106495988
3-fluoro-4-(oxolan-2-ylmethylsulfonyl)benzoic acid
CID 79186943
4-[methyl(oxolan-2-ylmethylsulfonyl)amino]benzoic acid
CID 104698285
2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
CID 103251607
2-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43440399

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid (CID 106493679) is 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid?
The InChIKey is SQIAHJCWTNFJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6S/c12-11(13)9-3-5-17-10(9)7-18(14,15)6-8-2-1-4-16-8/h3,5,8H,1-2,4,6-7H2,(H,12,13).
What are the key properties of 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid?
2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid has a molecular weight of 274.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 106493679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).