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

C20H31N3O5S2 — CID 654106

IUPAC4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1)N1CCOCC1
InChIInChI=1S/C20H31N3O5S2/c24-29(25,22-11-7-18(8-12-22)21-9-2-1-3-10-21)19-5-4-6-20(17-19)30(26,27)23-13-15-28-16-14-23/h4-6,17-18H,1-3,7-16H2
InChIKeyWVJLYVIQGLXBBY-UHFFFAOYSA-N
MW457.62 g/mol
LogP1.35
Rot. Bonds5

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

4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 654106) has the molecular formula C20H31N3O5S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
PubChem CID654106
Molecular FormulaC20H31N3O5S2
Molecular Weight457.62 g/mol
Exact Mass457.17
IUPAC Name4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1)N1CCOCC1
InChIInChI=1S/C20H31N3O5S2/c24-29(25,22-11-7-18(8-12-22)21-9-2-1-3-10-21)19-5-4-6-20(17-19)30(26,27)23-13-15-28-16-14-23/h4-6,17-18H,1-3,7-16H2
InChIKeyWVJLYVIQGLXBBY-UHFFFAOYSA-N
XLogP1.35
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
4-[3-(2-Methylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214675
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
4-[3-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456414
1-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-azepane
CID 1456413
4-[3-(4-Ethylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3214673
4-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390375
4-{[3-(Morpholin-4-ylsulfonyl)phenyl]sulfonyl}morpholine
CID 1079028
N-[bis(morpholin-4-yl)-lambda4-sulfanylidene]benzenesulfonamide
CID 4162433
1-(Benzenesulfonyl)-N-methyl-N-(oxan-4-YL)piperidin-4-amine
CID 91906099
N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456425

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine (CID 654106) is 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is O=S(=O)(c1cccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is WVJLYVIQGLXBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S2/c24-29(25,22-11-7-18(8-12-22)21-9-2-1-3-10-21)19-5-4-6-20(17-19)30(26,27)23-13-15-28-16-14-23/h4-6,17-18H,1-3,7-16H2.
What are the key properties of 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine?
4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 457.62 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 654106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).