tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate

C14H19NO5S — CID 171592514

IUPACtert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@](C)(c2ccccc2)COS1(=O)=O
InChIInChI=1S/C14H19NO5S/c1-13(2,3)20-12(16)15-14(4,10-19-21(15,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/t14-/m0/s1
InChIKeyVDEZBBRJGPYGMQ-AWEZNQCLSA-N
MW313.38 g/mol
LogP2.41
Rot. Bonds1

About tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate

tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate (PubChem CID 171592514) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
PubChem CID171592514
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Nametert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@](C)(c2ccccc2)COS1(=O)=O
InChIInChI=1S/C14H19NO5S/c1-13(2,3)20-12(16)15-14(4,10-19-21(15,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/t14-/m0/s1
InChIKeyVDEZBBRJGPYGMQ-AWEZNQCLSA-N
XLogP2.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
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tert-butyl (1R,4R,6R)-4-methyl-6-phenyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate (CID 171592514) is tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@](C)(c2ccccc2)COS1(=O)=O.
What is the InChIKey of tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
The InChIKey is VDEZBBRJGPYGMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-13(2,3)20-12(16)15-14(4,10-19-21(15,17)18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate?
tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate is sourced from PubChem (CID 171592514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).