1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone

C18H19NO3S — CID 110711417

IUPAC1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C18H19NO3S/c20-18(13-15-7-3-1-4-8-15)19-11-12-23(21,22)17(14-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyMVIQDXCIVVCURD-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.23
Rot. Bonds3

About 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone

1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone (PubChem CID 110711417) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone
PubChem CID110711417
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C18H19NO3S/c20-18(13-15-7-3-1-4-8-15)19-11-12-23(21,22)17(14-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyMVIQDXCIVVCURD-UHFFFAOYSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
CID 110711426
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 121021523
2-(1,3-benzodioxol-5-yl)-1-[(7R)-1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl]ethanone
CID 129357533
N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
CID 110747168
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-naphthalen-1-ylethanone
CID 121021514
(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-pyridin-3-ylmethanone
CID 110711424
2-cyclopentyl-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)ethanone
CID 121191833
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-pyrazol-1-ylethanone
CID 121191984
3-(benzenesulfonyl)-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)propan-1-one
CID 121191965
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-[2-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-oxoethyl]isoindole-1,3-dione
CID 121191951

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone?
The IUPAC name of 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone (CID 110711417) is 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone?
The canonical SMILES for 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCS(=O)(=O)C(c2ccccc2)C1.
What is the InChIKey of 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone?
The InChIKey is MVIQDXCIVVCURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(13-15-7-3-1-4-8-15)19-11-12-23(21,22)17(14-19)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone?
1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone has a molecular weight of 329.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone is sourced from PubChem (CID 110711417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).