4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C17H27N3O5S2 — CID 6489213

IUPAC4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C17H27N3O5S2/c1-14-12-15(2)17(16(3)13-14)26(21,22)18-4-6-19(7-5-18)27(23,24)20-8-10-25-11-9-20/h12-13H,4-11H2,1-3H3
InChIKeyOTWZTMJKMRNTMA-UHFFFAOYSA-N
MW417.55 g/mol
LogP0.50
Rot. Bonds4

About 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 6489213) has the molecular formula C17H27N3O5S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID6489213
Molecular FormulaC17H27N3O5S2
Molecular Weight417.55 g/mol
Exact Mass417.14
IUPAC Name4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C17H27N3O5S2/c1-14-12-15(2)17(16(3)13-14)26(21,22)18-4-6-19(7-5-18)27(23,24)20-8-10-25-11-9-20/h12-13H,4-11H2,1-3H3
InChIKeyOTWZTMJKMRNTMA-UHFFFAOYSA-N
XLogP0.50
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 6489213) is 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is OTWZTMJKMRNTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S2/c1-14-12-15(2)17(16(3)13-14)26(21,22)18-4-6-19(7-5-18)27(23,24)20-8-10-25-11-9-20/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 417.55 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 6489213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).