methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate

C6H11NO4S — CID 163378837

IUPACmethyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCS(=O)(=O)N1C
InChIInChI=1S/C6H11NO4S/c1-7-5(6(8)11-2)3-4-12(7,9)10/h5H,3-4H2,1-2H3
InChIKeyWHRRUOMMNPYKAW-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.81
Rot. Bonds1

About methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate

methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate (PubChem CID 163378837) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate
PubChem CID163378837
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Namemethyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCS(=O)(=O)N1C
InChIInChI=1S/C6H11NO4S/c1-7-5(6(8)11-2)3-4-12(7,9)10/h5H,3-4H2,1-2H3
InChIKeyWHRRUOMMNPYKAW-UHFFFAOYSA-N
XLogP-0.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 4-methyl-1,4-diazepane-5-carboxylate
CID 174500451
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 11774323
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
methyl 2-benzyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate;methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 170316799
methyl 1-methoxyazetidine-2-carboxylate
CID 559283
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate (CID 163378837) is methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate is COC(=O)C1CCS(=O)(=O)N1C.
What is the InChIKey of methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The InChIKey is WHRRUOMMNPYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-7-5(6(8)11-2)3-4-12(7,9)10/h5H,3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate has a molecular weight of 193.22 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate is sourced from PubChem (CID 163378837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).