1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine

C22H26N2O5S2 — CID 2925016

IUPAC1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2c1)N1CCCCC1
InChIInChI=1S/C22H26N2O5S2/c25-30(26,23-11-3-1-4-12-23)17-7-9-21-19(15-17)20-16-18(8-10-22(20)29-21)31(27,28)24-13-5-2-6-14-24/h7-10,15-16H,1-6,11-14H2
InChIKeyFTHAUHPKUUBKFJ-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.94
Rot. Bonds4

About 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine

1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine (PubChem CID 2925016) has the molecular formula C22H26N2O5S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine
PubChem CID2925016
Molecular FormulaC22H26N2O5S2
Molecular Weight462.59 g/mol
Exact Mass462.13
IUPAC Name1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2c1)N1CCCCC1
InChIInChI=1S/C22H26N2O5S2/c25-30(26,23-11-3-1-4-12-23)17-7-9-21-19(15-17)20-16-18(8-10-22(20)29-21)31(27,28)24-13-5-2-6-14-24/h7-10,15-16H,1-6,11-14H2
InChIKeyFTHAUHPKUUBKFJ-UHFFFAOYSA-N
XLogP3.94
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine (CID 2925016) is 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine is O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2c1)N1CCCCC1.
What is the InChIKey of 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine?
The InChIKey is FTHAUHPKUUBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S2/c25-30(26,23-11-3-1-4-12-23)17-7-9-21-19(15-17)20-16-18(8-10-22(20)29-21)31(27,28)24-13-5-2-6-14-24/h7-10,15-16H,1-6,11-14H2.
What are the key properties of 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine?
1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine has a molecular weight of 462.59 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-piperidin-1-ylsulfonyldibenzofuran-2-yl)sulfonylpiperidine is sourced from PubChem (CID 2925016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).