(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate

C11H17NO6S — CID 91325427

IUPAC(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate
SMILESO=C1CCN(S(=O)(=O)OC(=O)C2CCOCC2)CC1
InChIInChI=1S/C11H17NO6S/c13-10-1-5-12(6-2-10)19(15,16)18-11(14)9-3-7-17-8-4-9/h9H,1-8H2
InChIKeyZHPREFHWXBBHMO-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.13
Rot. Bonds3

About (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate

(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate (PubChem CID 91325427) has the molecular formula C11H17NO6S and a molecular weight of 291.32 g/mol. Its IUPAC name is (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate.

Molecular Properties

Compound Name(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate
PubChem CID91325427
Molecular FormulaC11H17NO6S
Molecular Weight291.32 g/mol
Exact Mass291.08
IUPAC Name(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate
SMILESO=C1CCN(S(=O)(=O)OC(=O)C2CCOCC2)CC1
InChIInChI=1S/C11H17NO6S/c13-10-1-5-12(6-2-10)19(15,16)18-11(14)9-3-7-17-8-4-9/h9H,1-8H2
InChIKeyZHPREFHWXBBHMO-UHFFFAOYSA-N
XLogP-0.13
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate?
The IUPAC name of (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate (CID 91325427) is (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate.
What is the SMILES notation for (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate?
The canonical SMILES for (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate is O=C1CCN(S(=O)(=O)OC(=O)C2CCOCC2)CC1.
What is the InChIKey of (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate?
The InChIKey is ZHPREFHWXBBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c13-10-1-5-12(6-2-10)19(15,16)18-11(14)9-3-7-17-8-4-9/h9H,1-8H2.
What are the key properties of (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate?
(4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate has a molecular weight of 291.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopiperidin-1-yl)sulfonyl oxane-4-carboxylate is sourced from PubChem (CID 91325427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).