2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C13H17NO3S — CID 110721524

IUPAC2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCS(=O)CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-17-12-4-2-11(3-5-12)10-13(15)14-6-8-18(16)9-7-14/h2-5H,6-10H2,1H3
InChIKeyCYODVDDEEJJAIT-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 110721524) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID110721524
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCS(=O)CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-17-12-4-2-11(3-5-12)10-13(15)14-6-8-18(16)9-7-14/h2-5H,6-10H2,1H3
InChIKeyCYODVDDEEJJAIT-UHFFFAOYSA-N
XLogP0.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-1-(1-oxo-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

2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721522
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanenitrile
CID 63337328

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 110721524) is 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is COc1ccc(CC(=O)N2CCS(=O)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is CYODVDDEEJJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-17-12-4-2-11(3-5-12)10-13(15)14-6-8-18(16)9-7-14/h2-5H,6-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 267.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 110721524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).