4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

C14H24N2O4S — CID 115302766

IUPAC4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H24N2O4S/c1-10(8-15-3)9-16-21(17,18)14-7-13(20-5)12(19-4)6-11(14)2/h6-7,10,15-16H,8-9H2,1-5H3
InChIKeyOGGKBIJEYFJMES-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.15
Rot. Bonds8

About 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (PubChem CID 115302766) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
PubChem CID115302766
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H24N2O4S/c1-10(8-15-3)9-16-21(17,18)14-7-13(20-5)12(19-4)6-11(14)2/h6-7,10,15-16H,8-9H2,1-5H3
InChIKeyOGGKBIJEYFJMES-UHFFFAOYSA-N
XLogP1.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302721
2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
CID 99852828
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (CID 115302766) is 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is CNCC(C)CNS(=O)(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is OGGKBIJEYFJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10(8-15-3)9-16-21(17,18)14-7-13(20-5)12(19-4)6-11(14)2/h6-7,10,15-16H,8-9H2,1-5H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 115302766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).