(1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione

C11H10BrNO3S — CID 40512902

IUPAC(1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
SMILESC[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)C[S@]1=O
InChIInChI=1S/C11H10BrNO3S/c1-7-11(15)13(10(14)6-17(7)16)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3/t7-,17+/m0/s1
InChIKeyVEEBJNZFWLENSG-BWKAKNAASA-N
MW316.18 g/mol
LogP1.46
Rot. Bonds1

About (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione

(1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione (PubChem CID 40512902) has the molecular formula C11H10BrNO3S and a molecular weight of 316.18 g/mol. Its IUPAC name is (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione.

Molecular Properties

Compound Name(1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
PubChem CID40512902
Molecular FormulaC11H10BrNO3S
Molecular Weight316.18 g/mol
Exact Mass314.96
IUPAC Name(1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
SMILESC[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)C[S@]1=O
InChIInChI=1S/C11H10BrNO3S/c1-7-11(15)13(10(14)6-17(7)16)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3/t7-,17+/m0/s1
InChIKeyVEEBJNZFWLENSG-BWKAKNAASA-N
XLogP1.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-4-(4-bromophenyl)-1-oxo-2-phenyl-1,4-thiazinane-3,5-dione
CID 35549142
(1R,2R)-4-(4-bromophenyl)-2-(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 40803451
(1R,2S)-4-(4-bromophenyl)-2-(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 40803452
(1R,2S)-2-methyl-4-(2-methylphenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 40513082
(1S,2R)-2-methyl-4-(2-methylphenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 40513083
(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 34365725
(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 1034992
2,4-bis(4-chlorophenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 2765202
(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 7784115
1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
CID 2856358
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
CID 3777582

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The IUPAC name of (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione (CID 40512902) is (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione.
What is the SMILES notation for (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The canonical SMILES for (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione is C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)C[S@]1=O.
What is the InChIKey of (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The InChIKey is VEEBJNZFWLENSG-BWKAKNAASA-N. The full InChI is InChI=1S/C11H10BrNO3S/c1-7-11(15)13(10(14)6-17(7)16)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3/t7-,17+/m0/s1.
What are the key properties of (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
(1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione has a molecular weight of 316.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4-(4-bromophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione is sourced from PubChem (CID 40512902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).