ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate

C6H11NO4S — CID 27282195

IUPACethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCS(=O)(=O)N1
InChIInChI=1S/C6H11NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyDOQNCFXSMXIUGB-RXMQYKEDSA-N
MW193.22 g/mol
LogP-0.76
Rot. Bonds2

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

ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate (PubChem CID 27282195) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
PubChem CID27282195
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Nameethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCS(=O)(=O)N1
InChIInChI=1S/C6H11NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyDOQNCFXSMXIUGB-RXMQYKEDSA-N
XLogP-0.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1,1-dioxothiazinane-3-carboxylate
CID 130150254
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CID 13228037
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CID 54457263
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl 2,3,3a,4-tetrahydro-1H-indole-2-carboxylate
CID 154520896
ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
ethyl (5R)-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 86307720
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 5-cyclopropylpyrazolidine-3-carboxylate
CID 19261694
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate (CID 27282195) is ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate is CCOC(=O)[C@H]1CCS(=O)(=O)N1.
What is the InChIKey of ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The InChIKey is DOQNCFXSMXIUGB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-2-11-6(8)5-3-4-12(9,10)7-5/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate has a molecular weight of 193.22 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate is sourced from PubChem (CID 27282195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).