4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C15H23N3O5S2 — CID 1091476

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C15H23N3O5S2/c1-14-2-4-15(5-3-14)24(19,20)16-6-8-17(9-7-16)25(21,22)18-10-12-23-13-11-18/h2-5H,6-13H2,1H3
InChIKeyISAJIFHVISDPLX-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.12
Rot. Bonds4

About 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 1091476) has the molecular formula C15H23N3O5S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID1091476
Molecular FormulaC15H23N3O5S2
Molecular Weight389.50 g/mol
Exact Mass389.11
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C15H23N3O5S2/c1-14-2-4-15(5-3-14)24(19,20)16-6-8-17(9-7-16)25(21,22)18-10-12-23-13-11-18/h2-5H,6-13H2,1H3
InChIKeyISAJIFHVISDPLX-UHFFFAOYSA-N
XLogP-0.12
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 1091476) is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is ISAJIFHVISDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S2/c1-14-2-4-15(5-3-14)24(19,20)16-6-8-17(9-7-16)25(21,22)18-10-12-23-13-11-18/h2-5H,6-13H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 389.50 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 1091476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).