N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide

C13H23NO4S — CID 103465907

IUPACN-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1c(C)oc(C)c1CO
InChIInChI=1S/C13H23NO4S/c1-6-13(4,5)8-14-19(16,17)12-10(3)18-9(2)11(12)7-15/h14-15H,6-8H2,1-5H3
InChIKeyUBAYTKUXCJKJBT-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.10
Rot. Bonds6

About N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide

N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 103465907) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID103465907
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC NameN-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1c(C)oc(C)c1CO
InChIInChI=1S/C13H23NO4S/c1-6-13(4,5)8-14-19(16,17)12-10(3)18-9(2)11(12)7-15/h14-15H,6-8H2,1-5H3
InChIKeyUBAYTKUXCJKJBT-UHFFFAOYSA-N
XLogP2.10
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
CID 114132079
4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
CID 115522681
4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433633
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)furan-3-sulfonamide
CID 106080990
4-(ethylaminomethyl)-2,5-dimethyl-N-(2-methylbutan-2-yl)furan-3-sulfonamide
CID 106031565
4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 106331727
2-[4-(2,2-dimethylbutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 103460341
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
N-(2,2-dimethylbutyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 103465979
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
methyl 4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 106170343
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107473844

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide (CID 103465907) is N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide is CCC(C)(C)CNS(=O)(=O)c1c(C)oc(C)c1CO.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is UBAYTKUXCJKJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-6-13(4,5)8-14-19(16,17)12-10(3)18-9(2)11(12)7-15/h14-15H,6-8H2,1-5H3.
What are the key properties of N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 103465907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).