methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate

C15H21NO3S — CID 65170984

IUPACmethyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)CC(c2c(C)cc(C)cc2C)N1
InChIInChI=1S/C15H21NO3S/c1-9-5-10(2)14(11(3)6-9)12-7-20(18)8-13(16-12)15(17)19-4/h5-6,12-13,16H,7-8H2,1-4H3
InChIKeyAFUIGRUWAFUQIZ-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.55
Rot. Bonds2

About methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate

methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate (PubChem CID 65170984) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate
PubChem CID65170984
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)CC(c2c(C)cc(C)cc2C)N1
InChIInChI=1S/C15H21NO3S/c1-9-5-10(2)14(11(3)6-9)12-7-20(18)8-13(16-12)15(17)19-4/h5-6,12-13,16H,7-8H2,1-4H3
InChIKeyAFUIGRUWAFUQIZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate 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

methyl 5-(4-methylphenyl)-1-oxo-1,4-thiazinane-3-carboxylate
CID 65170988
methyl 5-(4-bromophenyl)-1-oxo-1,4-thiazinane-3-carboxylate
CID 65170989
methyl 5-cyclopropyl-1-oxo-1,4-thiazinane-3-carboxylate
CID 65171134
methyl 5-(1-adamantyl)-1-oxo-1,4-thiazinane-3-carboxylate
CID 65171287
5-(5-methylthiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid
CID 65170863
methyl (1S,2R,5R)-2-amino-5-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylate
CID 11346024
methyl 5-(2-methylphenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65170893
5-(2-fluoro-4,6-dimethylphenyl)pyrrolidine-2-carboxylic acid
CID 106882408
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 5-(3-methylthiophen-2-yl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65171494
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959

Frequently Asked Questions

What is the IUPAC name of methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate?
The IUPAC name of methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate (CID 65170984) is methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate.
What is the SMILES notation for methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate?
The canonical SMILES for methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate is COC(=O)C1CS(=O)CC(c2c(C)cc(C)cc2C)N1.
What is the InChIKey of methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate?
The InChIKey is AFUIGRUWAFUQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-9-5-10(2)14(11(3)6-9)12-7-20(18)8-13(16-12)15(17)19-4/h5-6,12-13,16H,7-8H2,1-4H3.
What are the key properties of methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate?
methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-oxo-5-(2,4,6-trimethylphenyl)-1,4-thiazinane-3-carboxylate is sourced from PubChem (CID 65170984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).