methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate

C6H11NO4S — CID 59215778

IUPACmethyl 1,1-dioxo-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)(=O)CCN1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3
InChIKeyANJDRLZBIZGOSM-UHFFFAOYSA-N
MW193.22 g/mol
LogP-1.45
Rot. Bonds1

About methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate

methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate (PubChem CID 59215778) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,1-dioxo-1,4-thiazinane-3-carboxylate
PubChem CID59215778
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl 1,1-dioxo-1,4-thiazinane-3-carboxylate
SMILESCOC(=O)C1CS(=O)(=O)CCN1
InChIInChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3
InChIKeyANJDRLZBIZGOSM-UHFFFAOYSA-N
XLogP-1.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1,1-dioxo-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

Frequently Asked Questions

What is the IUPAC name of methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate?
The IUPAC name of methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate (CID 59215778) is methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate.
What is the SMILES notation for methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate?
The canonical SMILES for methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate is COC(=O)C1CS(=O)(=O)CCN1.
What is the InChIKey of methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate?
The InChIKey is ANJDRLZBIZGOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-11-6(8)5-4-12(9,10)3-2-7-5/h5,7H,2-4H2,1H3.
What are the key properties of methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate?
methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate has a molecular weight of 193.22 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,1-dioxo-1,4-thiazinane-3-carboxylate is sourced from PubChem (CID 59215778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).