2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid

C10H15NO4S — CID 43344016

IUPAC2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid
SMILESCSCCC(C(=O)O)N1C(=O)CCCC1=O
InChIInChI=1S/C10H15NO4S/c1-16-6-5-7(10(14)15)11-8(12)3-2-4-9(11)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyXKPLYVXKLHKEIT-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.73
Rot. Bonds5

About 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid

2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid (PubChem CID 43344016) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid
PubChem CID43344016
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid
SMILESCSCCC(C(=O)O)N1C(=O)CCCC1=O
InChIInChI=1S/C10H15NO4S/c1-16-6-5-7(10(14)15)11-8(12)3-2-4-9(11)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyXKPLYVXKLHKEIT-UHFFFAOYSA-N
XLogP0.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid (CID 43344016) is 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid is CSCCC(C(=O)O)N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid?
The InChIKey is XKPLYVXKLHKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-16-6-5-7(10(14)15)11-8(12)3-2-4-9(11)13/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid?
2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid has a molecular weight of 245.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 43344016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).