methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C11H17NO6S — CID 54879547

IUPACmethyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)CCO
InChIInChI=1S/C11H17NO6S/c1-7-9(11(14)17-4)10(8(2)18-7)19(15,16)12(3)5-6-13/h13H,5-6H2,1-4H3
InChIKeyMLLWWGDMLOGBNV-UHFFFAOYSA-N
MW291.32 g/mol
LogP0.30
Rot. Bonds5

About methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 54879547) has the molecular formula C11H17NO6S and a molecular weight of 291.32 g/mol. Its IUPAC name is methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID54879547
Molecular FormulaC11H17NO6S
Molecular Weight291.32 g/mol
Exact Mass291.08
IUPAC Namemethyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)CCO
InChIInChI=1S/C11H17NO6S/c1-7-9(11(14)17-4)10(8(2)18-7)19(15,16)12(3)5-6-13/h13H,5-6H2,1-4H3
InChIKeyMLLWWGDMLOGBNV-UHFFFAOYSA-N
XLogP0.30
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 106170343
methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 64591193
methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 63733358
methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
CID 120874540
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
methyl 3-[3-hydroxypropyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 114230128
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685
methyl 2,5-dimethyl-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]sulfonylfuran-3-carboxylate
CID 120703751
methyl 4-iodo-2,5-dimethylfuran-3-carboxylate
CID 79016599
2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid
CID 63983632
methyl 2,5-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]sulfonylfuran-3-carboxylate
CID 104975083

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 54879547) is methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)CCO.
What is the InChIKey of methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is MLLWWGDMLOGBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c1-7-9(11(14)17-4)10(8(2)18-7)19(15,16)12(3)5-6-13/h13H,5-6H2,1-4H3.
What are the key properties of methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 291.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-hydroxyethyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 54879547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).