4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine

C15H26N4O3S — CID 46982017

IUPAC4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine
SMILESCCn1cc(S(=O)(=O)N2CCCC(CN3CCOCC3)C2)cn1
InChIInChI=1S/C15H26N4O3S/c1-2-18-13-15(10-16-18)23(20,21)19-5-3-4-14(12-19)11-17-6-8-22-9-7-17/h10,13-14H,2-9,11-12H2,1H3
InChIKeyVRUFFSOUHRUHMX-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.64
Rot. Bonds5

About 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine

4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine (PubChem CID 46982017) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine
PubChem CID46982017
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine
SMILESCCn1cc(S(=O)(=O)N2CCCC(CN3CCOCC3)C2)cn1
InChIInChI=1S/C15H26N4O3S/c1-2-18-13-15(10-16-18)23(20,21)19-5-3-4-14(12-19)11-17-6-8-22-9-7-17/h10,13-14H,2-9,11-12H2,1H3
InChIKeyVRUFFSOUHRUHMX-UHFFFAOYSA-N
XLogP0.64
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine (CID 46982017) is 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine is CCn1cc(S(=O)(=O)N2CCCC(CN3CCOCC3)C2)cn1.
What is the InChIKey of 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine?
The InChIKey is VRUFFSOUHRUHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-18-13-15(10-16-18)23(20,21)19-5-3-4-14(12-19)11-17-6-8-22-9-7-17/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine?
4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine has a molecular weight of 342.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 46982017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).