tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

C10H19NO2S — CID 67403070

IUPACtert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1NCSC1(C)C
InChIInChI=1S/C10H19NO2S/c1-9(2,3)13-8(12)7-10(4,5)14-6-11-7/h7,11H,6H2,1-5H3/t7-/m0/s1
InChIKeyOCXFREZOEIBUIL-ZETCQYMHSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 67403070) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID67403070
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nametert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1NCSC1(C)C
InChIInChI=1S/C10H19NO2S/c1-9(2,3)13-8(12)7-10(4,5)14-6-11-7/h7,11H,6H2,1-5H3/t7-/m0/s1
InChIKeyOCXFREZOEIBUIL-ZETCQYMHSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
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tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
CID 174516766
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
tert-butyl 1,3-oxazolidine-4-carboxylate
CID 139927361
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (CID 67403070) is tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is CC(C)(C)OC(=O)[C@@H]1NCSC1(C)C.
What is the InChIKey of tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is OCXFREZOEIBUIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2,3)13-8(12)7-10(4,5)14-6-11-7/h7,11H,6H2,1-5H3/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 217.33 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 67403070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).