4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C20H26N4O5S2 — CID 4837509

IUPAC4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C20H26N4O5S2/c1-17-2-4-18(5-3-17)30(25,26)23-10-8-22(9-11-23)20-7-6-19(16-21-20)31(27,28)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3
InChIKeyGUJFZVNYXYJNLU-UHFFFAOYSA-N
MW466.59 g/mol
LogP0.92
Rot. Bonds5

About 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 4837509) has the molecular formula C20H26N4O5S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID4837509
Molecular FormulaC20H26N4O5S2
Molecular Weight466.59 g/mol
Exact Mass466.13
IUPAC Name4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/C20H26N4O5S2/c1-17-2-4-18(5-3-17)30(25,26)23-10-8-22(9-11-23)20-7-6-19(16-21-20)31(27,28)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3
InChIKeyGUJFZVNYXYJNLU-UHFFFAOYSA-N
XLogP0.92
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 4837509) is 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is GUJFZVNYXYJNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S2/c1-17-2-4-18(5-3-17)30(25,26)23-10-8-22(9-11-23)20-7-6-19(16-21-20)31(27,28)24-12-14-29-15-13-24/h2-7,16H,8-15H2,1H3.
What are the key properties of 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 466.59 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 4837509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).