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

C11H9F2NO3S — CID 34365725

IUPAC(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
SMILESC[C@H]1C(=O)N(c2ccc(F)cc2F)C(=O)C[S@]1=O
InChIInChI=1S/C11H9F2NO3S/c1-6-11(16)14(10(15)5-18(6)17)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3/t6-,18+/m0/s1
InChIKeyXLTKIDBARGZKRH-AHGSNSTDSA-N
MW273.26 g/mol
LogP0.98
Rot. Bonds1

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

(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione (PubChem CID 34365725) has the molecular formula C11H9F2NO3S and a molecular weight of 273.26 g/mol. Its IUPAC name is (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione.

Molecular Properties

Compound Name(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
PubChem CID34365725
Molecular FormulaC11H9F2NO3S
Molecular Weight273.26 g/mol
Exact Mass273.03
IUPAC Name(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
SMILESC[C@H]1C(=O)N(c2ccc(F)cc2F)C(=O)C[S@]1=O
InChIInChI=1S/C11H9F2NO3S/c1-6-11(16)14(10(15)5-18(6)17)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3/t6-,18+/m0/s1
InChIKeyXLTKIDBARGZKRH-AHGSNSTDSA-N
XLogP0.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 50.98
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

1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
CID 2732328
(1S,2R)-2-methyl-4-(2-methylphenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 40513083
(1R,2S)-2-methyl-4-(2-methylphenyl)-1-oxo-1,4-thiazinane-3,5-dione
CID 40513082
3-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43402830
3-(2,4-difluorophenyl)-1,5-dimethylimidazolidine-2,4-dione
CID 55096890
4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
CID 2732309
(3aR,7aS)-2-(2,4-difluorophenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6922506
(1S,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 40558205
(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 40558206
1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957933
1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499448
(3R)-1-(2,4-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2107844

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The IUPAC name of (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione (CID 34365725) is (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione.
What is the SMILES notation for (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The canonical SMILES for (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione is C[C@H]1C(=O)N(c2ccc(F)cc2F)C(=O)C[S@]1=O.
What is the InChIKey of (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
The InChIKey is XLTKIDBARGZKRH-AHGSNSTDSA-N. The full InChI is InChI=1S/C11H9F2NO3S/c1-6-11(16)14(10(15)5-18(6)17)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3/t6-,18+/m0/s1.
What are the key properties of (1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione?
(1R,2S)-4-(2,4-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione has a molecular weight of 273.26 g/mol, XLogP of 0.98, 1 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-difluorophenyl)-2-methyl-1-oxo-1,4-thiazinane-3,5-dione is sourced from PubChem (CID 34365725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).