(2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C19H23N3O7S — CID 135238386

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccccc1)CO2
InChIInChI=1S/C19H23N3O7S/c23-16-6-7-17(24)22(16)29-18(25)21-10-8-19(9-11-21)12-14(13-28-19)20-30(26,27)15-4-2-1-3-5-15/h1-5,14,20H,6-13H2
InChIKeyCONJBQAQWJPBMU-UHFFFAOYSA-N
MW437.47 g/mol
LogP0.79
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

(2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 135238386) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID135238386
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccccc1)CO2
InChIInChI=1S/C19H23N3O7S/c23-16-6-7-17(24)22(16)29-18(25)21-10-8-19(9-11-21)12-14(13-28-19)20-30(26,27)15-4-2-1-3-5-15/h1-5,14,20H,6-13H2
InChIKeyCONJBQAQWJPBMU-UHFFFAOYSA-N
XLogP0.79
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 135238386) is (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is O=C(ON1C(=O)CCC1=O)N1CCC2(CC1)CC(NS(=O)(=O)c1ccccc1)CO2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is CONJBQAQWJPBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c23-16-6-7-17(24)22(16)29-18(25)21-10-8-19(9-11-21)12-14(13-28-19)20-30(26,27)15-4-2-1-3-5-15/h1-5,14,20H,6-13H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 437.47 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(benzenesulfonamido)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 135238386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).