5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid

C10H15NO5S2 — CID 113493885

IUPAC5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
SMILESCSC(C)CCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO5S2/c1-7(17-2)5-6-11-18(14,15)9-4-3-8(16-9)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyQPOHMBMRRNNDPG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds7

About 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid

5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid (PubChem CID 113493885) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
PubChem CID113493885
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
SMILESCSC(C)CCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO5S2/c1-7(17-2)5-6-11-18(14,15)9-4-3-8(16-9)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyQPOHMBMRRNNDPG-UHFFFAOYSA-N
XLogP1.40
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
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-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114115798
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid (CID 113493885) is 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid is CSC(C)CCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is QPOHMBMRRNNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-7(17-2)5-6-11-18(14,15)9-4-3-8(16-9)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid?
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 113493885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).