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

C11H12ClNO3S — CID 2717

💊View drug profile → chlormezanone
IUPAC2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
SMILESCN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKeyWEQAYVWKMWHEJO-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.62
Rot. Bonds1

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

2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one (PubChem CID 2717) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
PubChem CID2717
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
SMILESCN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKeyWEQAYVWKMWHEJO-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

Dichlormezanone
CID 71209
4-(4-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
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1-{[(4-Chlorobenzyl)thio]acetyl}-4-methylpiperidine
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1-(4-{[(4-Chlorobenzyl)sulfonyl]methyl}-4-hydroxypiperidino)-2,2-dimethyl-1-propanone
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(2E)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
CID 5784065
(2E)-N-benzyl-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
CID 6298458
4-[(2,4-Dichlorophenyl)methyl]thiomorpholine-3,5-dione
CID 1478943
1-(4-{[(4-Chlorobenzyl)sulfonyl]methyl}-4-hydroxypiperidino)-3-methyl-1-butanone
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N-(4-chlorobenzyl)-N-[2-oxo-2-(1-piperidinyl)ethyl]methanesulfonamide
CID 2224290
2-(4-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2861271
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 2966777

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one (CID 2717) is 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one is CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The InChIKey is WEQAYVWKMWHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
2-(4-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-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one is sourced from PubChem (CID 2717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).