methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

C12H19NO5S — CID 64591193

IUPACmethyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCCC(C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC
InChIInChI=1S/C12H19NO5S/c1-6-7(2)13-19(15,16)11-9(4)18-8(3)10(11)12(14)17-5/h7,13H,6H2,1-5H3
InChIKeyFYPFXTOPZXQZOE-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.76
Rot. Bonds5

About methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (PubChem CID 64591193) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
PubChem CID64591193
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Namemethyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCCC(C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC
InChIInChI=1S/C12H19NO5S/c1-6-7(2)13-19(15,16)11-9(4)18-8(3)10(11)12(14)17-5/h7,13H,6H2,1-5H3
InChIKeyFYPFXTOPZXQZOE-UHFFFAOYSA-N
XLogP1.76
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid
CID 61463329
methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 63733358
methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 106170343
methyl 2,5-dimethyl-4-(1-piperidin-3-ylethylsulfamoyl)furan-3-carboxylate
CID 120874790
methyl 2,5-dimethyl-4-[3-(methylamino)propylsulfamoyl]furan-3-carboxylate;hydrochloride
CID 120874540
methyl 4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120874947
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
methyl 4-[4-(2-ethoxypropanoyl)piperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 55961398
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685

Frequently Asked Questions

What is the IUPAC name of methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (CID 64591193) is methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is CCC(C)NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC.
What is the InChIKey of methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The InChIKey is FYPFXTOPZXQZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-6-7(2)13-19(15,16)11-9(4)18-8(3)10(11)12(14)17-5/h7,13H,6H2,1-5H3.
What are the key properties of methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate has a molecular weight of 289.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(butan-2-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 64591193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).