2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid

C9H18N2O5S2 — CID 114814607

IUPAC2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)NCCOC
InChIInChI=1S/C9H18N2O5S2/c1-3-8-11(7(6-17-8)9(12)13)18(14,15)10-4-5-16-2/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyUKCQQFLOZSRJPN-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.29
Rot. Bonds7

About 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114814607) has the molecular formula C9H18N2O5S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID114814607
Molecular FormulaC9H18N2O5S2
Molecular Weight298.39 g/mol
Exact Mass298.07
IUPAC Name2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1S(=O)(=O)NCCOC
InChIInChI=1S/C9H18N2O5S2/c1-3-8-11(7(6-17-8)9(12)13)18(14,15)10-4-5-16-2/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyUKCQQFLOZSRJPN-UHFFFAOYSA-N
XLogP-0.29
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 63781857
2-propan-2-yl-3-(propylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114806191
3-(difluoromethylsulfonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779729
(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598
2-cyclopropyl-3-(2-methoxyethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235918
3-(5-bromo-2-methylphenyl)sulfonyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63779901
2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958890
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779888
2-propyl-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779390
2-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779369
3-(1,2-dimethylimidazol-4-yl)sulfonyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780972
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 114814607) is 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1S(=O)(=O)NCCOC.
What is the InChIKey of 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UKCQQFLOZSRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S2/c1-3-8-11(7(6-17-8)9(12)13)18(14,15)10-4-5-16-2/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methoxyethylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114814607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).