tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate

C9H15NO4S — CID 175387039

IUPACtert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCSC1OC=O
InChIInChI=1S/C9H15NO4S/c1-9(2,3)14-7(12)10-4-5-15-8(10)13-6-11/h6,8H,4-5H2,1-3H3
InChIKeyBIFSBDCFPRCLEK-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.43
Rot. Bonds2

About tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate

tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate (PubChem CID 175387039) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate
PubChem CID175387039
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Nametert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCSC1OC=O
InChIInChI=1S/C9H15NO4S/c1-9(2,3)14-7(12)10-4-5-15-8(10)13-6-11/h6,8H,4-5H2,1-3H3
InChIKeyBIFSBDCFPRCLEK-UHFFFAOYSA-N
XLogP1.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-acetyl-1,3-thiazolidine-3-carboxylate
CID 118137125
tert-butyl (2R,4S)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 121403612
tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 166040386
tert-butyl (2S)-2-formyloxy-4-methylpyrrolidine-1-carboxylate
CID 174682221
tert-butyl (3R)-3-cyclopropylthiomorpholine-4-carboxylate
CID 129379273
tert-butyl 2-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazolidine-3-carboxylate
CID 70382178
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl 3-[(E)-but-2-enoyl]thiomorpholine-4-carboxylate
CID 165466643
tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate
CID 175487566
2-O-tert-butyl 3-O-ethyl 1,3-thiazolidine-2,3-dicarboxylate
CID 142739823
tert-butyl (2S)-2-acetylaziridine-1-carboxylate
CID 125477207
tert-butyl 2-formylpiperidine-1-carboxylate;ethane
CID 145071320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate (CID 175387039) is tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCSC1OC=O.
What is the InChIKey of tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate?
The InChIKey is BIFSBDCFPRCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-9(2,3)14-7(12)10-4-5-15-8(10)13-6-11/h6,8H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate?
tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyloxy-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 175387039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).