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

C22H28N2O5S2 — CID 651778

IUPAC4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1
InChIInChI=1S/C22H28N2O5S2/c25-30(26,23-11-9-20(10-12-23)17-19-5-2-1-3-6-19)21-7-4-8-22(18-21)31(27,28)24-13-15-29-16-14-24/h1-8,18,20H,9-17H2
InChIKeyWCGDVPSQFXIICA-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.35
Rot. Bonds6

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

4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 651778) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID651778
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1
InChIInChI=1S/C22H28N2O5S2/c25-30(26,23-11-9-20(10-12-23)17-19-5-2-1-3-6-19)21-7-4-8-22(18-21)31(27,28)24-13-15-29-16-14-24/h1-8,18,20H,9-17H2
InChIKeyWCGDVPSQFXIICA-UHFFFAOYSA-N
XLogP2.35
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
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CID 3258260
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
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4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
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4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
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CID 23120376
1-(4-benzylpiperidin-1-yl)-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 4102827
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524
3-[[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95710589
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CID 56886483

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 651778) is 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is O=S(=O)(c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is WCGDVPSQFXIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c25-30(26,23-11-9-20(10-12-23)17-19-5-2-1-3-6-19)21-7-4-8-22(18-21)31(27,28)24-13-15-29-16-14-24/h1-8,18,20H,9-17H2.
What are the key properties of 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 464.61 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 651778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).