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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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).