2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide

C13H22N2O5S — CID 106152843

IUPAC2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)CCOc1ccccc1N
InChIInChI=1S/C13H22N2O5S/c1-19-10-11(6-7-16)15-21(17,18)9-8-20-13-5-3-2-4-12(13)14/h2-5,11,15-16H,6-10,14H2,1H3
InChIKeyGYHLDXFJPAWFRL-UHFFFAOYSA-N
MW318.39 g/mol
LogP-0.04
Rot. Bonds10

About 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide

2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide (PubChem CID 106152843) has the molecular formula C13H22N2O5S and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
PubChem CID106152843
Molecular FormulaC13H22N2O5S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)CCOc1ccccc1N
InChIInChI=1S/C13H22N2O5S/c1-19-10-11(6-7-16)15-21(17,18)9-8-20-13-5-3-2-4-12(13)14/h2-5,11,15-16H,6-10,14H2,1H3
InChIKeyGYHLDXFJPAWFRL-UHFFFAOYSA-N
XLogP-0.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103861215
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
CID 106157556
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide (CID 106152843) is 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide is COCC(CCO)NS(=O)(=O)CCOc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
The InChIKey is GYHLDXFJPAWFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S/c1-19-10-11(6-7-16)15-21(17,18)9-8-20-13-5-3-2-4-12(13)14/h2-5,11,15-16H,6-10,14H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide?
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide has a molecular weight of 318.39 g/mol, XLogP of -0.04, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 106152843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).