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

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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).