methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate

C10H11NO5S — CID 134859860

IUPACmethyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate
SMILESCOC(=O)N1C[C@@H](c2ccccc2)OS1(=O)=O
InChIInChI=1S/C10H11NO5S/c1-15-10(12)11-7-9(16-17(11,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1
InChIKeyTZBCDAJNOAPYQF-VIFPVBQESA-N
MW257.27 g/mol
LogP1.07
Rot. Bonds1

About methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate

methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate (PubChem CID 134859860) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate
PubChem CID134859860
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Namemethyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate
SMILESCOC(=O)N1C[C@@H](c2ccccc2)OS1(=O)=O
InChIInChI=1S/C10H11NO5S/c1-15-10(12)11-7-9(16-17(11,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1
InChIKeyTZBCDAJNOAPYQF-VIFPVBQESA-N
XLogP1.07
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-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

tert-butyl 5-(4-nitrophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 175955140
methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
CID 101166881
methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
CID 110711426
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
methyl 3-oxo-2-phenylazetidine-1-carboxylate
CID 15110746
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
3-O-benzyl 4-O-methyl (5R)-5-methyl-2,2-dioxooxathiazolidine-3,4-dicarboxylate
CID 135075839
methyl 2-[(6R)-4-ethyl-2-oxo-6-phenylmorpholin-3-yl]acetate
CID 67247978
3-methoxy-5-phenyl-1,3-oxazolidin-2-one
CID 13302506

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate?
The IUPAC name of methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate (CID 134859860) is methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate.
What is the SMILES notation for methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate?
The canonical SMILES for methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate is COC(=O)N1C[C@@H](c2ccccc2)OS1(=O)=O.
What is the InChIKey of methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate?
The InChIKey is TZBCDAJNOAPYQF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO5S/c1-15-10(12)11-7-9(16-17(11,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1.
What are the key properties of methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate?
methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate has a molecular weight of 257.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate is sourced from PubChem (CID 134859860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).