4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine

C16H24N2O4S — CID 806825

IUPAC4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-21-15-2-4-16(5-3-15)23(19,20)18-8-6-14(7-9-18)17-10-12-22-13-11-17/h2-5,14H,6-13H2,1H3
InChIKeyYGXAGZQGJLAEBF-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.18
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine

4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 806825) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID806825
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-21-15-2-4-16(5-3-15)23(19,20)18-8-6-14(7-9-18)17-10-12-22-13-11-17/h2-5,14H,6-13H2,1H3
InChIKeyYGXAGZQGJLAEBF-UHFFFAOYSA-N
XLogP1.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine (CID 806825) is 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine is COc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is YGXAGZQGJLAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-21-15-2-4-16(5-3-15)23(19,20)18-8-6-14(7-9-18)17-10-12-22-13-11-17/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 340.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 806825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).