N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide

C12H20N2O4S — CID 107466325

IUPACN-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1c(CN)cccc1OC
InChIInChI=1S/C12H20N2O4S/c1-3-18-7-8-19(15,16)14-12-10(9-13)5-4-6-11(12)17-2/h4-6,14H,3,7-9,13H2,1-2H3
InChIKeyZOVWMTXSZGIYFB-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.93
Rot. Bonds8

About N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide

N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide (PubChem CID 107466325) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide
PubChem CID107466325
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1c(CN)cccc1OC
InChIInChI=1S/C12H20N2O4S/c1-3-18-7-8-19(15,16)14-12-10(9-13)5-4-6-11(12)17-2/h4-6,14H,3,7-9,13H2,1-2H3
InChIKeyZOVWMTXSZGIYFB-UHFFFAOYSA-N
XLogP0.93
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-6-methoxy-N-(methylsulfamoyl)aniline
CID 107466334
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
CID 107466320
N-[[4-(aminomethyl)phenyl]methyl]-2-ethoxyethanesulfonamide
CID 63245940
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
(2-ethyl-6-methoxyphenyl)hydrazine
CID 130939442
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide
CID 63246213
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide (CID 107466325) is N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1c(CN)cccc1OC.
What is the InChIKey of N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide?
The InChIKey is ZOVWMTXSZGIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-3-18-7-8-19(15,16)14-12-10(9-13)5-4-6-11(12)17-2/h4-6,14H,3,7-9,13H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide?
N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 107466325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).