N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide

C11H18N2O4S — CID 55009592

IUPACN-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C11H18N2O4S/c1-16-8-9-18(14,15)13-6-7-17-11-5-3-2-4-10(11)12/h2-5,13H,6-9,12H2,1H3
InChIKeyXFCJPCDLRFHSDJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.21
Rot. Bonds8

About N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide

N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide (PubChem CID 55009592) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
PubChem CID55009592
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C11H18N2O4S/c1-16-8-9-18(14,15)13-6-7-17-11-5-3-2-4-10(11)12/h2-5,13H,6-9,12H2,1H3
InChIKeyXFCJPCDLRFHSDJ-UHFFFAOYSA-N
XLogP0.21
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
CID 61458712
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
2-(2-aminophenoxy)-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 106894709

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide (CID 55009592) is N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCCOc1ccccc1N.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide?
The InChIKey is XFCJPCDLRFHSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-8-9-18(14,15)13-6-7-17-11-5-3-2-4-10(11)12/h2-5,13H,6-9,12H2,1H3.
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide?
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).