2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide

C13H20N2O4S — CID 82726329

IUPAC2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
SMILESCC1OCCC1NS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-13(6-7-18-10)15-20(16,17)9-8-19-12-4-2-11(14)3-5-12/h2-5,10,13,15H,6-9,14H2,1H3
InChIKeyIRIUFQVFXMZLGO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.74
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide

2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide (PubChem CID 82726329) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
PubChem CID82726329
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
SMILESCC1OCCC1NS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O4S/c1-10-13(6-7-18-10)15-20(16,17)9-8-19-12-4-2-11(14)3-5-12/h2-5,10,13,15H,6-9,14H2,1H3
InChIKeyIRIUFQVFXMZLGO-UHFFFAOYSA-N
XLogP0.74
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide (CID 82726329) is 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide is CC1OCCC1NS(=O)(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide?
The InChIKey is IRIUFQVFXMZLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-13(6-7-18-10)15-20(16,17)9-8-19-12-4-2-11(14)3-5-12/h2-5,10,13,15H,6-9,14H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide?
2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 82726329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).