4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine

C14H22N4O3S — CID 110253738

IUPAC4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine
SMILESCc1nccc(C2CCCN(S(=O)(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-12-15-5-4-14(16-12)13-3-2-6-18(11-13)22(19,20)17-7-9-21-10-8-17/h4-5,13H,2-3,6-11H2,1H3
InChIKeyUILXGZXOYCWMRA-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.54
Rot. Bonds3

About 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine

4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 110253738) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine
PubChem CID110253738
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine
SMILESCc1nccc(C2CCCN(S(=O)(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C14H22N4O3S/c1-12-15-5-4-14(16-12)13-3-2-6-18(11-13)22(19,20)17-7-9-21-10-8-17/h4-5,13H,2-3,6-11H2,1H3
InChIKeyUILXGZXOYCWMRA-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine (CID 110253738) is 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine is Cc1nccc(C2CCCN(S(=O)(=O)N3CCOCC3)C2)n1.
What is the InChIKey of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is UILXGZXOYCWMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-12-15-5-4-14(16-12)13-3-2-6-18(11-13)22(19,20)17-7-9-21-10-8-17/h4-5,13H,2-3,6-11H2,1H3.
What are the key properties of 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine?
4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 326.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 110253738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).