2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide

C12H18N2O3S — CID 113465308

IUPAC2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
SMILESC=CCCNS(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-2-3-7-14-18(15,16)9-8-17-12-6-4-5-11(13)10-12/h2,4-6,10,14H,1,3,7-9,13H2
InChIKeyJMKZPDSSTWGNPA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.14
Rot. Bonds8

About 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide

2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide (PubChem CID 113465308) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
PubChem CID113465308
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
SMILESC=CCCNS(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-2-3-7-14-18(15,16)9-8-17-12-6-4-5-11(13)10-12/h2,4-6,10,14H,1,3,7-9,13H2
InChIKeyJMKZPDSSTWGNPA-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
CID 65310670
2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106379250
2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416406
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide
CID 114911711
ethane;3-prop-2-enoxyaniline
CID 143673688
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
CID 82182921
1-[2-(3-aminophenoxy)ethylsulfonyl]propan-2-one
CID 82182930
N-[2-(3-aminophenoxy)ethyl]pyrrolidine-1-sulfonamide
CID 54915246

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide?
The IUPAC name of 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide (CID 113465308) is 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide is C=CCCNS(=O)(=O)CCOc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide?
The InChIKey is JMKZPDSSTWGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-3-7-14-18(15,16)9-8-17-12-6-4-5-11(13)10-12/h2,4-6,10,14H,1,3,7-9,13H2.
What are the key properties of 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide?
2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide is sourced from PubChem (CID 113465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).