5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid

C11H17NO5S — CID 106328341

IUPAC5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO5S/c1-4-11(3,5-2)12-18(15,16)9-7-6-8(17-9)10(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeySPSVFROKDFLVAF-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.83
Rot. Bonds6

About 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid

5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 106328341) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID106328341
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO5S/c1-4-11(3,5-2)12-18(15,16)9-7-6-8(17-9)10(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeySPSVFROKDFLVAF-UHFFFAOYSA-N
XLogP1.83
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfonylfuran-2-carboxylic acid
CID 63943573
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-(morpholin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 83004785
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201
5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114115798
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid (CID 106328341) is 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid is CCC(C)(CC)NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is SPSVFROKDFLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-4-11(3,5-2)12-18(15,16)9-7-6-8(17-9)10(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid?
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 106328341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).