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

Name: Methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₆N₂O₅S — CID 119967240

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
PubChem CID	119967240
Molecular Formula	C₁₁H₁₆N₂O₅S
Molecular Weight	288.32 g/mol
Exact Mass	288.08
IUPAC Name	methyl 2-methyl-5-(pyrrolidin-3-ylsulfamoyl)furan-3-carboxylate
SMILES	COC(=O)c1cc(S(=O)(=O)NC2CCNC2)oc1C
InChI	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
InChIKey	XXAKCXXGSHNBJF-UHFFFAOYSA-N
XLogP	0.01
TPSA	97.64 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.32
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 119967240 — identifiers, structure, computed properties (public domain)

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