3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

C9H15NO6S2 — CID 63779888

IUPAC3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H15NO6S2/c1-6-10(7(5-17-6)9(12)13)18(14,15)4-3-8(11)16-2/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyZRJFUQDYIZENDA-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.27
Rot. Bonds5

About 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63779888) has the molecular formula C9H15NO6S2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63779888
Molecular FormulaC9H15NO6S2
Molecular Weight297.35 g/mol
Exact Mass297.03
IUPAC Name3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H15NO6S2/c1-6-10(7(5-17-6)9(12)13)18(14,15)4-3-8(11)16-2/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyZRJFUQDYIZENDA-UHFFFAOYSA-N
XLogP-0.27
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63779888) is 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is COC(=O)CCS(=O)(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZRJFUQDYIZENDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6S2/c1-6-10(7(5-17-6)9(12)13)18(14,15)4-3-8(11)16-2/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63779888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).