methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

C11H18N2O5S — CID 63733358

IUPACmethyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(C)N
InChIInChI=1S/C11H18N2O5S/c1-6(12)5-13-19(15,16)10-8(3)18-7(2)9(10)11(14)17-4/h6,13H,5,12H2,1-4H3
InChIKeyKQTYZOXENJMJND-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.31
Rot. Bonds5

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

methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (PubChem CID 63733358) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
PubChem CID63733358
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Namemethyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(C)N
InChIInChI=1S/C11H18N2O5S/c1-6(12)5-13-19(15,16)10-8(3)18-7(2)9(10)11(14)17-4/h6,13H,5,12H2,1-4H3
InChIKeyKQTYZOXENJMJND-UHFFFAOYSA-N
XLogP0.31
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (CID 63733358) is methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC(C)N.
What is the InChIKey of methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The InChIKey is KQTYZOXENJMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-6(12)5-13-19(15,16)10-8(3)18-7(2)9(10)11(14)17-4/h6,13H,5,12H2,1-4H3.
What are the key properties of methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminopropylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 63733358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).