tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate

C10H19NO2S — CID 174516766

IUPACtert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNC(C)(C)S1
InChIInChI=1S/C10H19NO2S/c1-9(2,3)13-8(12)7-6-11-10(4,5)14-7/h7,11H,6H2,1-5H3
InChIKeyVBHUDZWMDAOAOQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate

tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate (PubChem CID 174516766) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
PubChem CID174516766
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nametert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CNC(C)(C)S1
InChIInChI=1S/C10H19NO2S/c1-9(2,3)13-8(12)7-6-11-10(4,5)14-7/h7,11H,6H2,1-5H3
InChIKeyVBHUDZWMDAOAOQ-UHFFFAOYSA-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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CID 124671307
tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 67403070
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
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tert-butyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate
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CID 175904413
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate (CID 174516766) is tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate is CC(C)(C)OC(=O)C1CNC(C)(C)S1.
What is the InChIKey of tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
The InChIKey is VBHUDZWMDAOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2,3)13-8(12)7-6-11-10(4,5)14-7/h7,11H,6H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate?
tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-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 2,2-dimethyl-1,3-thiazolidine-5-carboxylate is sourced from PubChem (CID 174516766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).