2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid

C9H16N2O5S2 — CID 63780064

IUPAC2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O5S2/c1-7-11(8(6-17-7)9(12)13)18(14,15)10-2-4-16-5-3-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyUGIQLIAHQQHKQH-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.59
Rot. Bonds3

About 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780064) has the molecular formula C9H16N2O5S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780064
Molecular FormulaC9H16N2O5S2
Molecular Weight296.37 g/mol
Exact Mass296.05
IUPAC Name2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O5S2/c1-7-11(8(6-17-7)9(12)13)18(14,15)10-2-4-16-5-3-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyUGIQLIAHQQHKQH-UHFFFAOYSA-N
XLogP-0.59
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779350
3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781667
3-(dipropylsulfamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781485
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779888
2-methyl-3-(1-methylpyrrol-3-yl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 55235914
3-(2-methoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780421
2-methyl-3-(2-phenylethenylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 77006564
4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 43210342
(2S,4R)-4-hydroxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 28783706
2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779442
3-(2-ethoxy-2-oxoethyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55235723
2-methyl-3-(2,4,6-trifluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 63780064) is 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UGIQLIAHQQHKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S2/c1-7-11(8(6-17-7)9(12)13)18(14,15)10-2-4-16-5-3-10/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).