methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate

C12H15NO4S — CID 110711426

IUPACmethyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
SMILESCOC(=O)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C12H15NO4S/c1-17-12(14)13-7-8-18(15,16)11(9-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyVFRZRRBRBMPBPO-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.22
Rot. Bonds1

About methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate

methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate (PubChem CID 110711426) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
PubChem CID110711426
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
SMILESCOC(=O)N1CCS(=O)(=O)C(c2ccccc2)C1
InChIInChI=1S/C12H15NO4S/c1-17-12(14)13-7-8-18(15,16)11(9-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyVFRZRRBRBMPBPO-UHFFFAOYSA-N
XLogP1.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-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

N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
CID 110747168
1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)-2-phenylethanone
CID 110711417
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121192069
(3,4-dimethylphenyl)-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)methanone
CID 121191843
2-cyclopentyl-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)ethanone
CID 121191833
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(4-fluorophenyl)methanone
CID 121191859
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
[(7S)-1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl]-thiophen-2-ylmethanone
CID 129357160
methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate
CID 134859860
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-(4-phenylphenoxy)ethanone
CID 121192005
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 121192039

Frequently Asked Questions

What is the IUPAC name of methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate?
The IUPAC name of methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate (CID 110711426) is methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate.
What is the SMILES notation for methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate?
The canonical SMILES for methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate is COC(=O)N1CCS(=O)(=O)C(c2ccccc2)C1.
What is the InChIKey of methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate?
The InChIKey is VFRZRRBRBMPBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-12(14)13-7-8-18(15,16)11(9-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate?
methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate is sourced from PubChem (CID 110711426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).