5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid

C12H19N3O5S — CID 60924480

IUPAC5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCN1CCN(CCNS(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H19N3O5S/c1-14-6-8-15(9-7-14)5-4-13-21(18,19)11-3-2-10(20-11)12(16)17/h2-3,13H,4-9H2,1H3,(H,16,17)
InChIKeyUQHFTUYNNGLMQU-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.50
Rot. Bonds6

About 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid

5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 60924480) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID60924480
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCN1CCN(CCNS(=O)(=O)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H19N3O5S/c1-14-6-8-15(9-7-14)5-4-13-21(18,19)11-3-2-10(20-11)12(16)17/h2-3,13H,4-9H2,1H3,(H,16,17)
InChIKeyUQHFTUYNNGLMQU-UHFFFAOYSA-N
XLogP-0.50
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
5-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 62989592
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid (CID 60924480) is 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid is CN1CCN(CCNS(=O)(=O)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is UQHFTUYNNGLMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-14-6-8-15(9-7-14)5-4-13-21(18,19)11-3-2-10(20-11)12(16)17/h2-3,13H,4-9H2,1H3,(H,16,17).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60924480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).