4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine

C16H25N3O3S — CID 70720389

IUPAC4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine
SMILESO=S(=O)(c1cccnc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,16-5-3-7-17-14-16)19-8-2-1-4-15(19)6-9-18-10-12-22-13-11-18/h3,5,7,14-15H,1-2,4,6,8-13H2
InChIKeyASZBLRGKKZXMNL-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.35
Rot. Bonds5

About 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine

4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine (PubChem CID 70720389) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine
PubChem CID70720389
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine
SMILESO=S(=O)(c1cccnc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,16-5-3-7-17-14-16)19-8-2-1-4-15(19)6-9-18-10-12-22-13-11-18/h3,5,7,14-15H,1-2,4,6,8-13H2
InChIKeyASZBLRGKKZXMNL-UHFFFAOYSA-N
XLogP1.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine (CID 70720389) is 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine is O=S(=O)(c1cccnc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine?
The InChIKey is ASZBLRGKKZXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-23(21,16-5-3-7-17-14-16)19-8-2-1-4-15(19)6-9-18-10-12-22-13-11-18/h3,5,7,14-15H,1-2,4,6,8-13H2.
What are the key properties of 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine?
4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine has a molecular weight of 339.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-pyridin-3-ylsulfonylpiperidin-2-yl)ethyl]morpholine is sourced from PubChem (CID 70720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).