2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide

C15H21N3O6S — CID 90625169

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C15H21N3O6S/c19-12(11-17-7-2-1-4-13(17)20)10-16-25(23,24)9-8-18-14(21)5-3-6-15(18)22/h1-2,4,7,12,16,19H,3,5-6,8-11H2
InChIKeyMJHOINZMJRBGEF-UHFFFAOYSA-N
MW371.42 g/mol
LogP-1.33
Rot. Bonds8

About 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide (PubChem CID 90625169) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide
PubChem CID90625169
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C15H21N3O6S/c19-12(11-17-7-2-1-4-13(17)20)10-16-25(23,24)9-8-18-14(21)5-3-6-15(18)22/h1-2,4,7,12,16,19H,3,5-6,8-11H2
InChIKeyMJHOINZMJRBGEF-UHFFFAOYSA-N
XLogP-1.33
TPSA125.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide (CID 90625169) is 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)NCC(O)Cn1ccccc1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide?
The InChIKey is MJHOINZMJRBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S/c19-12(11-17-7-2-1-4-13(17)20)10-16-25(23,24)9-8-18-14(21)5-3-6-15(18)22/h1-2,4,7,12,16,19H,3,5-6,8-11H2.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide has a molecular weight of 371.42 g/mol, XLogP of -1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]ethanesulfonamide is sourced from PubChem (CID 90625169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).