5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide

C13H24N2O3S — CID 102904622

IUPAC5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
SMILESCC(C)C(CNCc1ccc(S(N)(=O)=O)o1)C(C)C
InChIInChI=1S/C13H24N2O3S/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(18-11)19(14,16)17/h5-6,9-10,12,15H,7-8H2,1-4H3,(H2,14,16,17)
InChIKeyYEJYGSSDHISCTB-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.94
Rot. Bonds7

About 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide

5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide (PubChem CID 102904622) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
PubChem CID102904622
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
SMILESCC(C)C(CNCc1ccc(S(N)(=O)=O)o1)C(C)C
InChIInChI=1S/C13H24N2O3S/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(18-11)19(14,16)17/h5-6,9-10,12,15H,7-8H2,1-4H3,(H2,14,16,17)
InChIKeyYEJYGSSDHISCTB-UHFFFAOYSA-N
XLogP1.94
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
CID 113484035
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
N-[(5-iodofuran-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904166
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
CID 154876227
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 106370676
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide?
The IUPAC name of 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide (CID 102904622) is 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide is CC(C)C(CNCc1ccc(S(N)(=O)=O)o1)C(C)C.
What is the InChIKey of 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide?
The InChIKey is YEJYGSSDHISCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9(2)12(10(3)4)8-15-7-11-5-6-13(18-11)19(14,16)17/h5-6,9-10,12,15H,7-8H2,1-4H3,(H2,14,16,17).
What are the key properties of 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide?
5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide is sourced from PubChem (CID 102904622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).