[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium

C13H23N2O4S+ — CID 7874366

IUPAC[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNS(C)(=O)=O)[NH+](C)C)cc1OC
InChIInChI=1S/C13H22N2O4S/c1-15(2)11(9-14-20(5,16)17)10-6-7-12(18-3)13(8-10)19-4/h6-8,11,14H,9H2,1-5H3/p+1/t11-/m1/s1
InChIKeyYQHNEULDFJZDAQ-LLVKDONJSA-O
MW303.40 g/mol
LogP-0.56
Rot. Bonds7

About [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium

[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium (PubChem CID 7874366) has the molecular formula C13H23N2O4S+ and a molecular weight of 303.40 g/mol. Its IUPAC name is [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium
PubChem CID7874366
Molecular FormulaC13H23N2O4S+
Molecular Weight303.40 g/mol
Exact Mass303.14
IUPAC Name[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium
SMILESCOc1ccc([C@@H](CNS(C)(=O)=O)[NH+](C)C)cc1OC
InChIInChI=1S/C13H22N2O4S/c1-15(2)11(9-14-20(5,16)17)10-6-7-12(18-3)13(8-10)19-4/h6-8,11,14H,9H2,1-5H3/p+1/t11-/m1/s1
InChIKeyYQHNEULDFJZDAQ-LLVKDONJSA-O
XLogP-0.56
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium 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

[(1R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7497813
[(1R)-2-[(4-butoxybenzoyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
CID 2564831
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105301180
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropane-1-sulfonamide
CID 90613450
N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 124673447
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
[(1R)-2-[(3,4-dimethoxybenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496032
N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium (CID 7874366) is [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium is COc1ccc([C@@H](CNS(C)(=O)=O)[NH+](C)C)cc1OC.
What is the InChIKey of [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium?
The InChIKey is YQHNEULDFJZDAQ-LLVKDONJSA-O. The full InChI is InChI=1S/C13H22N2O4S/c1-15(2)11(9-14-20(5,16)17)10-6-7-12(18-3)13(8-10)19-4/h6-8,11,14H,9H2,1-5H3/p+1/t11-/m1/s1.
What are the key properties of [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium?
[(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium has a molecular weight of 303.40 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3,4-dimethoxyphenyl)-2-(methanesulfonamido)ethyl]-dimethylazanium is sourced from PubChem (CID 7874366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).