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

C14H19NO3S — CID 102884755

IUPAC2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H19NO3S/c1-11-5-3-4-6-13(11)14(16)9-15-7-8-19(17,18)10-12(15)2/h3-6,12H,7-10H2,1-2H3
InChIKeyATHZNINYXGVDAC-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.30
Rot. Bonds3

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

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone (PubChem CID 102884755) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
PubChem CID102884755
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H19NO3S/c1-11-5-3-4-6-13(11)14(16)9-15-7-8-19(17,18)10-12(15)2/h3-6,12H,7-10H2,1-2H3
InChIKeyATHZNINYXGVDAC-UHFFFAOYSA-N
XLogP1.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone (CID 102884755) is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is ATHZNINYXGVDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11-5-3-4-6-13(11)14(16)9-15-7-8-19(17,18)10-12(15)2/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone?
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 281.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 102884755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).