tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate

C8H15NO4S — CID 11160359

IUPACtert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCS(=O)(=O)N1
InChIInChI=1S/C8H15NO4S/c1-8(2,3)13-7(10)6-4-5-14(11,12)9-6/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyJFUBUVMYQZXKSS-ZCFIWIBFSA-N
MW221.28 g/mol
LogP0.02
Rot. Bonds1

About tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate

tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate (PubChem CID 11160359) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
PubChem CID11160359
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Nametert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCS(=O)(=O)N1
InChIInChI=1S/C8H15NO4S/c1-8(2,3)13-7(10)6-4-5-14(11,12)9-6/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyJFUBUVMYQZXKSS-ZCFIWIBFSA-N
XLogP0.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate (CID 11160359) is tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)[C@H]1CCS(=O)(=O)N1.
What is the InChIKey of tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The InChIKey is JFUBUVMYQZXKSS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-8(2,3)13-7(10)6-4-5-14(11,12)9-6/h6,9H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate has a molecular weight of 221.28 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate is sourced from PubChem (CID 11160359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).