methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate

C6H11NO6S2 — CID 3613892

IUPACmethyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CS(=O)(=O)CN1S(C)(=O)=O
InChIInChI=1S/C6H11NO6S2/c1-13-6(8)5-3-15(11,12)4-7(5)14(2,9)10/h5H,3-4H2,1-2H3
InChIKeyDHPHGTITAQKVHJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.82
Rot. Bonds2

About methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate

methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate (PubChem CID 3613892) has the molecular formula C6H11NO6S2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate
PubChem CID3613892
Molecular FormulaC6H11NO6S2
Molecular Weight257.29 g/mol
Exact Mass257.00
IUPAC Namemethyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CS(=O)(=O)CN1S(C)(=O)=O
InChIInChI=1S/C6H11NO6S2/c1-13-6(8)5-3-15(11,12)4-7(5)14(2,9)10/h5H,3-4H2,1-2H3
InChIKeyDHPHGTITAQKVHJ-UHFFFAOYSA-N
XLogP-1.82
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161675
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl (4R)-3-(2-diazo-3-oxobutanoyl)-1,1-dioxo-1,3-thiazolidine-4-carboxylate
CID 100965219
methyl (2R,5R)-5-methyl-1-methylsulfonylpyrrolidine-2-carboxylate
CID 99995918
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
methyl 1-methylsulfonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 78455003
methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 7161590
methyl (2S)-4-(cyclopentanecarbonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161585
4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate
CID 97297853
methyl 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 163378837
methyl 4-(cyclobutylmethyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 154779810

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate (CID 3613892) is methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate is COC(=O)C1CS(=O)(=O)CN1S(C)(=O)=O.
What is the InChIKey of methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
The InChIKey is DHPHGTITAQKVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO6S2/c1-13-6(8)5-3-15(11,12)4-7(5)14(2,9)10/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 3613892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).