2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide

C12H15N3O4S2 — CID 106379250

IUPAC2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESNc1cccc(OCCS(=O)(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C12H15N3O4S2/c13-9-2-1-3-11(6-9)19-4-5-21(17,18)14-7-10-8-20-12(16)15-10/h1-3,6,8,14H,4-5,7,13H2,(H,15,16)
InChIKeyNTRWBXJMFIIMNJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.52
Rot. Bonds7

About 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide

2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (PubChem CID 106379250) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
PubChem CID106379250
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESNc1cccc(OCCS(=O)(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C12H15N3O4S2/c13-9-2-1-3-11(6-9)19-4-5-21(17,18)14-7-10-8-20-12(16)15-10/h1-3,6,8,14H,4-5,7,13H2,(H,15,16)
InChIKeyNTRWBXJMFIIMNJ-UHFFFAOYSA-N
XLogP0.52
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.52
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

2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
CID 113465308
4-[[(3-aminophenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381742
2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
CID 65310670
2-(3-aminophenoxy)-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106180836
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416406
2-(3-aminophenoxy)-N-(thiadiazol-5-yl)ethanesulfonamide
CID 114911711
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
4-[2-(3-aminophenoxy)ethylsulfonyl]piperazine-2,6-dione
CID 66085634
4-[(4-amino-2-methylanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379468
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
CID 82182921

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (CID 106379250) is 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is Nc1cccc(OCCS(=O)(=O)NCc2csc(=O)[nH]2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is NTRWBXJMFIIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c13-9-2-1-3-11(6-9)19-4-5-21(17,18)14-7-10-8-20-12(16)15-10/h1-3,6,8,14H,4-5,7,13H2,(H,15,16).
What are the key properties of 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 106379250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).