5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid

C12H18N2O6S — CID 60926737

IUPAC5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O6S/c1-3-14(4-2)10(15)7-8-13-21(18,19)11-6-5-9(20-11)12(16)17/h5-6,13H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyKUOHLGBHKRTVLO-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.51
Rot. Bonds8

About 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid

5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 60926737) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID60926737
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O6S/c1-3-14(4-2)10(15)7-8-13-21(18,19)11-6-5-9(20-11)12(16)17/h5-6,13H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyKUOHLGBHKRTVLO-UHFFFAOYSA-N
XLogP0.51
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 106335110
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
CID 39733384
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
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-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid (CID 60926737) is 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid is CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is KUOHLGBHKRTVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-3-14(4-2)10(15)7-8-13-21(18,19)11-6-5-9(20-11)12(16)17/h5-6,13H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid?
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60926737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).