5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid

C13H20N2O5S — CID 62989592

IUPAC5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(CNS(=O)(=O)c1ccc(C(=O)O)o1)CN1CCCC1
InChIInChI=1S/C13H20N2O5S/c1-10(9-15-6-2-3-7-15)8-14-21(18,19)12-5-4-11(20-12)13(16)17/h4-5,10,14H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyIOISROXPWZQXAH-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.99
Rot. Bonds7

About 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid

5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62989592) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62989592
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(CNS(=O)(=O)c1ccc(C(=O)O)o1)CN1CCCC1
InChIInChI=1S/C13H20N2O5S/c1-10(9-15-6-2-3-7-15)8-14-21(18,19)12-5-4-11(20-12)13(16)17/h4-5,10,14H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyIOISROXPWZQXAH-UHFFFAOYSA-N
XLogP0.99
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
5-amino-2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991663
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid (CID 62989592) is 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid is CC(CNS(=O)(=O)c1ccc(C(=O)O)o1)CN1CCCC1.
What is the InChIKey of 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is IOISROXPWZQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-10(9-15-6-2-3-7-15)8-14-21(18,19)12-5-4-11(20-12)13(16)17/h4-5,10,14H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid?
5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62989592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).