2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one

C11H12ClNO3S — CID 24846655

IUPAC2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
SMILESCN1C(=O)CCS(=O)(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3S/c1-13-10(14)5-6-17(15,16)11(13)8-3-2-4-9(12)7-8/h2-4,7,11H,5-6H2,1H3
InChIKeyOWLQIYLAAQSFIX-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.62
Rot. Bonds1

About 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one

2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one (PubChem CID 24846655) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
PubChem CID24846655
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
SMILESCN1C(=O)CCS(=O)(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO3S/c1-13-10(14)5-6-17(15,16)11(13)8-3-2-4-9(12)7-8/h2-4,7,11H,5-6H2,1H3
InChIKeyOWLQIYLAAQSFIX-UHFFFAOYSA-N
XLogP1.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
CID 6603760
2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one;2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
CID 167708402
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate
CID 100619884
1-(3-chlorophenyl)-2-methyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-3-one
CID 166392235
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
(3R)-3-(3-chlorophenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-5-ium-4-amine
CID 2042140
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
5-(3-chlorophenyl)-1-methyl-1,4-diazepane
CID 82287491
6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one
CID 75379486
6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
CID 10515936

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one (CID 24846655) is 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one is CN1C(=O)CCS(=O)(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The InChIKey is OWLQIYLAAQSFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-13-10(14)5-6-17(15,16)11(13)8-3-2-4-9(12)7-8/h2-4,7,11H,5-6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one has a molecular weight of 273.74 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one is sourced from PubChem (CID 24846655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).