2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C12H15NO4S2 — CID 74247158

IUPAC2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C12H15NO4S2/c1-9(14)11-6-10(8-18-11)7-12(15)13-2-4-19(16,17)5-3-13/h6,8H,2-5,7H2,1H3
InChIKeyMIVAMWWIOSMBIS-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.75
Rot. Bonds3

About 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 74247158) has the molecular formula C12H15NO4S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID74247158
Molecular FormulaC12H15NO4S2
Molecular Weight301.39 g/mol
Exact Mass301.04
IUPAC Name2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C12H15NO4S2/c1-9(14)11-6-10(8-18-11)7-12(15)13-2-4-19(16,17)5-3-13/h6,8H,2-5,7H2,1H3
InChIKeyMIVAMWWIOSMBIS-UHFFFAOYSA-N
XLogP0.75
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 74247158) is 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CC(=O)c1cc(CC(=O)N2CCS(=O)(=O)CC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is MIVAMWWIOSMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S2/c1-9(14)11-6-10(8-18-11)7-12(15)13-2-4-19(16,17)5-3-13/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 301.39 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 74247158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).