1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C15H19NO4S — CID 102884646

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO4S/c1-11-10-21(18,19)7-5-16(11)9-14(17)12-2-3-15-13(8-12)4-6-20-15/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyYONSHYSZJJDPHB-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.92
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 102884646) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID102884646
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CS(=O)(=O)CCN1CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO4S/c1-11-10-21(18,19)7-5-16(11)9-14(17)12-2-3-15-13(8-12)4-6-20-15/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyYONSHYSZJJDPHB-UHFFFAOYSA-N
XLogP0.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 102884752
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81195757
1-(3-chloro-4-methoxyphenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102884762
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-nitrophenyl)ethanone
CID 102884656
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61440412
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 63217755
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 47016579
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-(1,1-diphenylethyl)pyrrolidin-1-yl]ethanone
CID 71058664
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405314

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 102884646) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC1CS(=O)(=O)CCN1CC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is YONSHYSZJJDPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-10-21(18,19)7-5-16(11)9-14(17)12-2-3-15-13(8-12)4-6-20-15/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 309.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 102884646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).