2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide

C12H20N2O5S — CID 43551672

IUPAC2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1cc(OC)c(CNCCS(N)(=O)=O)c(OC)c1
InChIInChI=1S/C12H20N2O5S/c1-17-9-6-11(18-2)10(12(7-9)19-3)8-14-4-5-20(13,15)16/h6-7,14H,4-5,8H2,1-3H3,(H2,13,15,16)
InChIKeyWUVZTGVYNJMWAQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.09
Rot. Bonds8

About 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide

2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide (PubChem CID 43551672) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
PubChem CID43551672
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1cc(OC)c(CNCCS(N)(=O)=O)c(OC)c1
InChIInChI=1S/C12H20N2O5S/c1-17-9-6-11(18-2)10(12(7-9)19-3)8-14-4-5-20(13,15)16/h6-7,14H,4-5,8H2,1-3H3,(H2,13,15,16)
InChIKeyWUVZTGVYNJMWAQ-UHFFFAOYSA-N
XLogP0.09
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
2-[(2,4,6-trimethylphenyl)methylamino]ethanesulfonamide
CID 43551978
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
3-[(2-bromo-4,6-dimethoxyphenyl)methylamino]propanoic acid
CID 120913155
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243
2-(3-amino-5-methoxyanilino)ethanesulfonamide
CID 80730733
N-[(2,4-dimethoxyphenyl)methyl]-2-propylsulfonylethanamine
CID 106723733

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide (CID 43551672) is 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide is COc1cc(OC)c(CNCCS(N)(=O)=O)c(OC)c1.
What is the InChIKey of 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide?
The InChIKey is WUVZTGVYNJMWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-17-9-6-11(18-2)10(12(7-9)19-3)8-14-4-5-20(13,15)16/h6-7,14H,4-5,8H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide?
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 43551672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).