3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate

C9H14NO3S- — CID 19777315

IUPAC3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate
SMILESCC1(C)SC(C)(C)N(C=O)C1C(=O)[O-]
InChIInChI=1S/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)/p-1
InChIKeyQEIKJZZSMZXSAI-UHFFFAOYSA-M
MW216.28 g/mol
LogP-0.18
Rot. Bonds2

About 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate

3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 19777315) has the molecular formula C9H14NO3S- and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate
PubChem CID19777315
Molecular FormulaC9H14NO3S-
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate
SMILESCC1(C)SC(C)(C)N(C=O)C1C(=O)[O-]
InChIInChI=1S/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)/p-1
InChIKeyQEIKJZZSMZXSAI-UHFFFAOYSA-M
XLogP-0.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate (CID 19777315) is 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate is CC1(C)SC(C)(C)N(C=O)C1C(=O)[O-].
What is the InChIKey of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is QEIKJZZSMZXSAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15NO3S/c1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h5-6H,1-4H3,(H,12,13)/p-1.
What are the key properties of 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate?
3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 216.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 19777315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).