2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C13H18N2O4S — CID 102882184

IUPAC2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-9-20(17,18)7-6-15(10)13(16)8-19-12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3
InChIKeyMYVBBOMIQSIOGQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.29
Rot. Bonds3

About 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 102882184) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID102882184
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-9-20(17,18)7-6-15(10)13(16)8-19-12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3
InChIKeyMYVBBOMIQSIOGQ-UHFFFAOYSA-N
XLogP0.29
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone 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

(E)-3-(4-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 102883258
3-(3-aminophenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102882275
2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040561
[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883352
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882210
3-chloro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883010
2-(4-aminophenoxy)-1-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83218230
3-(4-ethoxyphenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazepan-4-yl)propan-1-one
CID 136566661
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-aminophenoxy)ethanone
CID 61028305
(5-amino-2-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882268
(5-amino-2-bromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882272

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 102882184) is 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC1CS(=O)(=O)CCN1C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is MYVBBOMIQSIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-9-20(17,18)7-6-15(10)13(16)8-19-12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 298.36 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 102882184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).