4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine

C12H20N4O3S — CID 110270790

IUPAC4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H20N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-11(10-16)12-3-4-13-14-12/h3-4,11H,1-2,5-10H2,(H,13,14)
InChIKeySUXVLYDFEJXIHW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.17
Rot. Bonds3

About 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine

4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 110270790) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
PubChem CID110270790
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H20N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-11(10-16)12-3-4-13-14-12/h3-4,11H,1-2,5-10H2,(H,13,14)
InChIKeySUXVLYDFEJXIHW-UHFFFAOYSA-N
XLogP0.17
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine (CID 110270790) is 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is SUXVLYDFEJXIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-11(10-16)12-3-4-13-14-12/h3-4,11H,1-2,5-10H2,(H,13,14).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine?
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 300.38 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 110270790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).