2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide

C14H22N2O4S — CID 114628522

IUPAC2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2)12(9-13(14)17)16-21(18,19)8-7-20-11-5-3-10(15)4-6-11/h3-6,12-13,16-17H,7-9,15H2,1-2H3
InChIKeyUFICDCWCUCTJSB-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.73
Rot. Bonds6

About 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide

2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide (PubChem CID 114628522) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
PubChem CID114628522
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2)12(9-13(14)17)16-21(18,19)8-7-20-11-5-3-10(15)4-6-11/h3-6,12-13,16-17H,7-9,15H2,1-2H3
InChIKeyUFICDCWCUCTJSB-UHFFFAOYSA-N
XLogP0.73
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.73
H-Bond Donors ≤ 53
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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Related Compounds

1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114628418
2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82726329
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
2-(4-aminophenoxy)-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106181130
3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114630658
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
2-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ethanesulfonamide
CID 107843768
2-(4-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039925
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
1-[2-(4-aminophenoxy)ethylsulfonyl]-3-propan-2-ylurea
CID 116646347
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoylmethyl]benzoic acid
CID 114628915
2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416496

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide (CID 114628522) is 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The InChIKey is UFICDCWCUCTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2)12(9-13(14)17)16-21(18,19)8-7-20-11-5-3-10(15)4-6-11/h3-6,12-13,16-17H,7-9,15H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide is sourced from PubChem (CID 114628522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).