1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine

C25H34N2O4S2 — CID 124779418

IUPAC1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(CCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)N1CCCCC1
InChIInChI=1S/C25H34N2O4S2/c28-32(29,26-18-3-1-4-19-26)24-14-10-22(11-15-24)8-7-9-23-12-16-25(17-13-23)33(30,31)27-20-5-2-6-21-27/h10-17H,1-9,18-21H2
InChIKeyKRLIOTSWOODJCJ-UHFFFAOYSA-N
MW490.69 g/mol
LogP4.21
Rot. Bonds8

About 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine

1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine (PubChem CID 124779418) has the molecular formula C25H34N2O4S2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
PubChem CID124779418
Molecular FormulaC25H34N2O4S2
Molecular Weight490.69 g/mol
Exact Mass490.20
IUPAC Name1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(CCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)N1CCCCC1
InChIInChI=1S/C25H34N2O4S2/c28-32(29,26-18-3-1-4-19-26)24-14-10-22(11-15-24)8-7-9-23-12-16-25(17-13-23)33(30,31)27-20-5-2-6-21-27/h10-17H,1-9,18-21H2
InChIKeyKRLIOTSWOODJCJ-UHFFFAOYSA-N
XLogP4.21
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
CID 53229799
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
(4-piperidin-1-ylsulfonylphenyl)phosphane
CID 142954366
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine?
The IUPAC name of 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine (CID 124779418) is 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(CCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.
What is the InChIKey of 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine?
The InChIKey is KRLIOTSWOODJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4S2/c28-32(29,26-18-3-1-4-19-26)24-14-10-22(11-15-24)8-7-9-23-12-16-25(17-13-23)33(30,31)27-20-5-2-6-21-27/h10-17H,1-9,18-21H2.
What are the key properties of 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine?
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine has a molecular weight of 490.69 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine is sourced from PubChem (CID 124779418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).