4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid

C13H24N2O7S — CID 2910760

IUPAC4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid
SMILESCCS(=O)(=O)N1CCC(N2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O3S.C2H2O4/c1-2-17(14,15)13-5-3-11(4-6-13)12-7-9-16-10-8-12;3-1(4)2(5)6/h11H,2-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyQFRIRQGOFNXBEP-UHFFFAOYSA-N
MW352.41 g/mol
LogP-0.71
Rot. Bonds3

About 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid

4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid (PubChem CID 2910760) has the molecular formula C13H24N2O7S and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid.

Molecular Properties

Compound Name4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid
PubChem CID2910760
Molecular FormulaC13H24N2O7S
Molecular Weight352.41 g/mol
Exact Mass352.13
IUPAC Name4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid
SMILESCCS(=O)(=O)N1CCC(N2CCOCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H22N2O3S.C2H2O4/c1-2-17(14,15)13-5-3-11(4-6-13)12-7-9-16-10-8-12;3-1(4)2(5)6/h11H,2-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyQFRIRQGOFNXBEP-UHFFFAOYSA-N
XLogP-0.71
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid?
The IUPAC name of 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid (CID 2910760) is 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid.
What is the SMILES notation for 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid?
The canonical SMILES for 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid is CCS(=O)(=O)N1CCC(N2CCOCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid?
The InChIKey is QFRIRQGOFNXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S.C2H2O4/c1-2-17(14,15)13-5-3-11(4-6-13)12-7-9-16-10-8-12;3-1(4)2(5)6/h11H,2-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid?
4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid has a molecular weight of 352.41 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylsulfonylpiperidin-4-yl)morpholine;oxalic acid is sourced from PubChem (CID 2910760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).