2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide

C13H24N2O3S — CID 106059178

IUPAC2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C13H24N2O3S/c1-9(2)6-7-15-19(16,17)13-11(4)18-10(3)12(13)8-14-5/h9,14-15H,6-8H2,1-5H3
InChIKeyOYZYRIAYIKQKRZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.94
Rot. Bonds7

About 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide

2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide (PubChem CID 106059178) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
PubChem CID106059178
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCNCc1c(C)oc(C)c1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C13H24N2O3S/c1-9(2)6-7-15-19(16,17)13-11(4)18-10(3)12(13)8-14-5/h9,14-15H,6-8H2,1-5H3
InChIKeyOYZYRIAYIKQKRZ-UHFFFAOYSA-N
XLogP1.94
TPSA71.34 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

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Related Compounds

N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433836
N-(cyclobutylmethyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106024727
2,5-dimethyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063009
N-(1-ethoxypropan-2-yl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106054301
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
2,5-dimethyl-4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106061031
4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
CID 106028812

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide (CID 106059178) is 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide is CNCc1c(C)oc(C)c1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide?
The InChIKey is OYZYRIAYIKQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9(2)6-7-15-19(16,17)13-11(4)18-10(3)12(13)8-14-5/h9,14-15H,6-8H2,1-5H3.
What are the key properties of 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide?
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-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 2,5-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 106059178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).