4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine

C20H25N3O5S2 — CID 3466813

IUPAC4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)N1CCOCC1
InChIInChI=1S/C20H25N3O5S2/c24-29(25,22-12-14-28-15-13-22)18-6-8-19(9-7-18)30(26,27)23-11-2-1-5-20(23)17-4-3-10-21-16-17/h3-4,6-10,16,20H,1-2,5,11-15H2
InChIKeyGXXVYEASWGMTIQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.02
Rot. Bonds5

About 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine

4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 3466813) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID3466813
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)N1CCOCC1
InChIInChI=1S/C20H25N3O5S2/c24-29(25,22-12-14-28-15-13-22)18-6-8-19(9-7-18)30(26,27)23-11-2-1-5-20(23)17-4-3-10-21-16-17/h3-4,6-10,16,20H,1-2,5,11-15H2
InChIKeyGXXVYEASWGMTIQ-UHFFFAOYSA-N
XLogP2.02
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
4-(2,6-Dimethyl-piperidine-1-sulfonyl)-N-(2-pyridin-4-yl-ethyl)-benzenesulfonamide
CID 3226853
4-[1-[(6-Phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine
CID 58211634
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide
CID 13318112
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
(R)-4-((1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)cyclopropyl)methyl)morpholine
CID 44565029
N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
CID 45489060
3-[1-(4-Fluorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894220
(E)-N-[4-(4-morpholin-4-ylpiperidin-1-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70980876
4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1167013

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 3466813) is 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is O=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is GXXVYEASWGMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c24-29(25,22-12-14-28-15-13-22)18-6-8-19(9-7-18)30(26,27)23-11-2-1-5-20(23)17-4-3-10-21-16-17/h3-4,6-10,16,20H,1-2,5,11-15H2.
What are the key properties of 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 451.57 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 3466813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).