4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine

C16H25N3O5S2 — CID 3214673

IUPAC4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C16H25N3O5S2/c1-2-17-6-8-18(9-7-17)25(20,21)15-4-3-5-16(14-15)26(22,23)19-10-12-24-13-11-19/h3-5,14H,2,6-13H2,1H3
InChIKeyXTWXOOZTVRUMOZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.03
Rot. Bonds5

About 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine

4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 3214673) has the molecular formula C16H25N3O5S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID3214673
Molecular FormulaC16H25N3O5S2
Molecular Weight403.53 g/mol
Exact Mass403.12
IUPAC Name4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESCCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C16H25N3O5S2/c1-2-17-6-8-18(9-7-17)25(20,21)15-4-3-5-16(14-15)26(22,23)19-10-12-24-13-11-19/h3-5,14H,2,6-13H2,1H3
InChIKeyXTWXOOZTVRUMOZ-UHFFFAOYSA-N
XLogP0.03
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 3214673) is 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine is CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is XTWXOOZTVRUMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S2/c1-2-17-6-8-18(9-7-17)25(20,21)15-4-3-5-16(14-15)26(22,23)19-10-12-24-13-11-19/h3-5,14H,2,6-13H2,1H3.
What are the key properties of 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 403.53 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 3214673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).