4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine

C15H23N3O3S — CID 2950838

IUPAC4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine
SMILESCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-16-6-8-17(9-7-16)14-2-4-15(5-3-14)22(19,20)18-10-12-21-13-11-18/h2-5H,6-13H2,1H3
InChIKeyJAYOSQAIXWXBSA-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.46
Rot. Bonds3

About 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine

4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine (PubChem CID 2950838) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine
PubChem CID2950838
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine
SMILESCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-16-6-8-17(9-7-16)14-2-4-15(5-3-14)22(19,20)18-10-12-21-13-11-18/h2-5H,6-13H2,1H3
InChIKeyJAYOSQAIXWXBSA-UHFFFAOYSA-N
XLogP0.46
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine (CID 2950838) is 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine is CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine?
The InChIKey is JAYOSQAIXWXBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-16-6-8-17(9-7-16)14-2-4-15(5-3-14)22(19,20)18-10-12-21-13-11-18/h2-5H,6-13H2,1H3.
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine?
4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine has a molecular weight of 325.43 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 2950838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).