methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate

C11H16N2O5S — CID 119967240

IUPACmethyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCNC2)oc1C
InChIInChI=1S/C11H16N2O5S/c1-7-9(11(14)17-2)5-10(18-7)19(15,16)13-8-3-4-12-6-8/h5,8,12-13H,3-4,6H2,1-2H3
InChIKeyXXAKCXXGSHNBJF-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.01
Rot. Bonds4

About methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate

methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate (PubChem CID 119967240) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
PubChem CID119967240
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Namemethyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCNC2)oc1C
InChIInChI=1S/C11H16N2O5S/c1-7-9(11(14)17-2)5-10(18-7)19(15,16)13-8-3-4-12-6-8/h5,8,12-13H,3-4,6H2,1-2H3
InChIKeyXXAKCXXGSHNBJF-UHFFFAOYSA-N
XLogP0.01
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate (CID 119967240) is methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CCNC2)oc1C.
What is the InChIKey of methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate?
The InChIKey is XXAKCXXGSHNBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7-9(11(14)17-2)5-10(18-7)19(15,16)13-8-3-4-12-6-8/h5,8,12-13H,3-4,6H2,1-2H3.
What are the key properties of methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate?
methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate is sourced from PubChem (CID 119967240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).