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

C13H22N2O4S — CID 115302868

IUPAC3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H22N2O4S/c1-10(8-14-2)9-15-20(16,17)11-5-6-12(18-3)13(7-11)19-4/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeyKBCYGHJUIUVQAF-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.84
Rot. Bonds8

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

3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (PubChem CID 115302868) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
PubChem CID115302868
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H22N2O4S/c1-10(8-14-2)9-15-20(16,17)11-5-6-12(18-3)13(7-11)19-4/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeyKBCYGHJUIUVQAF-UHFFFAOYSA-N
XLogP0.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
3-bromo-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63961409
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701447
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (CID 115302868) is 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is CNCC(C)CNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is KBCYGHJUIUVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(8-14-2)9-15-20(16,17)11-5-6-12(18-3)13(7-11)19-4/h5-7,10,14-15H,8-9H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 115302868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).