methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate

C10H11NO5S — CID 101166881

IUPACmethyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
SMILESCOC(=O)N1[C@@H](c2ccccc2)COS1(=O)=O
InChIInChI=1S/C10H11NO5S/c1-15-10(12)11-9(7-16-17(11,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKeyIMZTVRPQDSVXDZ-SECBINFHSA-N
MW257.27 g/mol
LogP1.07
Rot. Bonds1

About methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate

methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate (PubChem CID 101166881) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
PubChem CID101166881
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Namemethyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
SMILESCOC(=O)N1[C@@H](c2ccccc2)COS1(=O)=O
InChIInChI=1S/C10H11NO5S/c1-15-10(12)11-9(7-16-17(11,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKeyIMZTVRPQDSVXDZ-SECBINFHSA-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

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Related Compounds

tert-butyl 2,2-dioxo-4-[3-(trifluoromethyl)phenyl]oxathiazolidine-3-carboxylate
CID 139211221
methyl (5R)-2,2-dioxo-5-phenyloxathiazolidine-3-carboxylate
CID 134859860
tert-butyl (4S)-4-(3,4-difluorophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 125498249
methyl (3aS)-5-benzyl-2,2-dioxo-3a,4-dihydropyrrolo[3,4-d]oxathiazole-3-carboxylate
CID 87597207
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 154715478
methyl 1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxylate
CID 110711426
(5R)-3-(9H-fluoren-9-yl)-4-methoxycarbonyl-2,2-dioxooxathiazinane-5-carboxylic acid
CID 175139269
dimethyl (4R,6R)-1,1,3,3-tetraoxo-5-phenyl-1,3-dithiane-4,6-dicarboxylate
CID 988542
methyl 3-oxo-2-phenylazetidine-1-carboxylate
CID 15110746
methyl (E)-6-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]hex-2-en-5-ynoate
CID 139254687
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
The IUPAC name of methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate (CID 101166881) is methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate.
What is the SMILES notation for methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
The canonical SMILES for methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate is COC(=O)N1[C@@H](c2ccccc2)COS1(=O)=O.
What is the InChIKey of methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
The InChIKey is IMZTVRPQDSVXDZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-15-10(12)11-9(7-16-17(11,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1.
What are the key properties of methyl (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
methyl (4S)-2,2-dioxo-4-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 (4S)-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate is sourced from PubChem (CID 101166881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).