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

C11H12ClNO3S — CID 6603760

IUPAC(2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
SMILESCN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(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/t11-/m0/s1
InChIKeyWEQAYVWKMWHEJO-NSHDSACASA-N
MW273.74 g/mol
LogP1.62
Rot. Bonds1

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

(2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one (PubChem CID 6603760) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
PubChem CID6603760
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name(2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
SMILESCN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(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/t11-/m0/s1
InChIKeyWEQAYVWKMWHEJO-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one (CID 6603760) is (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one is CN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
The InChIKey is WEQAYVWKMWHEJO-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one?
(2S)-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 (2S)-2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one is sourced from PubChem (CID 6603760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).