(1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate

C7H11NO6S — CID 141192601

IUPAC(1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate
SMILESCN1C(=O)CCC(C)(OS(=O)(=O)O)C1=O
InChIInChI=1S/C7H11NO6S/c1-7(14-15(11,12)13)4-3-5(9)8(2)6(7)10/h3-4H2,1-2H3,(H,11,12,13)
InChIKeyGDOZXNYEPDSZTE-UHFFFAOYSA-N
MW237.23 g/mol
LogP-0.66
Rot. Bonds2

About (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate

(1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate (PubChem CID 141192601) has the molecular formula C7H11NO6S and a molecular weight of 237.23 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate
PubChem CID141192601
Molecular FormulaC7H11NO6S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name(1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate
SMILESCN1C(=O)CCC(C)(OS(=O)(=O)O)C1=O
InChIInChI=1S/C7H11NO6S/c1-7(14-15(11,12)13)4-3-5(9)8(2)6(7)10/h3-4H2,1-2H3,(H,11,12,13)
InChIKeyGDOZXNYEPDSZTE-UHFFFAOYSA-N
XLogP-0.66
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(1-Methyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate
CID 141083451

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate (CID 141192601) is (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate is CN1C(=O)CCC(C)(OS(=O)(=O)O)C1=O.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate?
The InChIKey is GDOZXNYEPDSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6S/c1-7(14-15(11,12)13)4-3-5(9)8(2)6(7)10/h3-4H2,1-2H3,(H,11,12,13).
What are the key properties of (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate?
(1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate has a molecular weight of 237.23 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopiperidin-3-yl) hydrogen sulfate is sourced from PubChem (CID 141192601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).