(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione

C12H11Cl2NO3S — CID 40558206

IUPAC(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
SMILESC[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C[S@]1=O
InChIInChI=1S/C12H11Cl2NO3S/c1-7-12(17)15(11(16)6-19(7)18)5-8-2-3-9(13)4-10(8)14/h2-4,7H,5-6H2,1H3/t7-,19+/m0/s1
InChIKeyONFXWNHSHPQFDF-ZDVLTJLQSA-N
MW320.20 g/mol
LogP2.00
Rot. Bonds2

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

(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione (PubChem CID 40558206) has the molecular formula C12H11Cl2NO3S and a molecular weight of 320.20 g/mol. Its IUPAC name is (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione.

Molecular Properties

Compound Name(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
PubChem CID40558206
Molecular FormulaC12H11Cl2NO3S
Molecular Weight320.20 g/mol
Exact Mass318.98
IUPAC Name(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
SMILESC[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C[S@]1=O
InChIInChI=1S/C12H11Cl2NO3S/c1-7-12(17)15(11(16)6-19(7)18)5-8-2-3-9(13)4-10(8)14/h2-4,7H,5-6H2,1H3/t7-,19+/m0/s1
InChIKeyONFXWNHSHPQFDF-ZDVLTJLQSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 40558205
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
(1R,2S,6S,7R)-4-[(2,4-dichlorophenyl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126387003
4-[(2,4-dichlorophenyl)methyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2967024
1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181701
1-[(2,4-dichlorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258906
3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione
CID 21498457
1-benzoyl-5-[(2,4-dichlorophenyl)methyl]-3-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243614
(3S)-4-[(2,4-dichlorophenyl)methyl]-3-methylpiperazin-2-one
CID 52881469
1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3H-pyrrol-2-one
CID 174636780
2-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-one
CID 170923995
(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 34365725

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The IUPAC name of (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione (CID 40558206) is (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione.
What is the SMILES notation for (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The canonical SMILES for (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione is C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)C(=O)C[S@]1=O.
What is the InChIKey of (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The InChIKey is ONFXWNHSHPQFDF-ZDVLTJLQSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S/c1-7-12(17)15(11(16)6-19(7)18)5-8-2-3-9(13)4-10(8)14/h2-4,7H,5-6H2,1H3/t7-,19+/m0/s1.
What are the key properties of (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione has a molecular weight of 320.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione is sourced from PubChem (CID 40558206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).