1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine

C26H32N4O4S2 — CID 68603377

IUPAC1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine
SMILESO=S(=O)(CCCC1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C26H32N4O4S2/c31-35(32,29-18-16-28(17-19-29)24-11-13-27-14-12-24)20-4-8-25-7-3-15-30(25)36(33,34)26-10-9-22-5-1-2-6-23(22)21-26/h1-2,5-6,9-14,21,25H,3-4,7-8,15-20H2
InChIKeyYAKDYFRLJUCOAE-UHFFFAOYSA-N
MW528.70 g/mol
LogP3.32
Rot. Bonds8

About 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine

1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine (PubChem CID 68603377) has the molecular formula C26H32N4O4S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine
PubChem CID68603377
Molecular FormulaC26H32N4O4S2
Molecular Weight528.70 g/mol
Exact Mass528.19
IUPAC Name1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine
SMILESO=S(=O)(CCCC1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C26H32N4O4S2/c31-35(32,29-18-16-28(17-19-29)24-11-13-27-14-12-24)20-4-8-25-7-3-15-30(25)36(33,34)26-10-9-22-5-1-2-6-23(22)21-26/h1-2,5-6,9-14,21,25H,3-4,7-8,15-20H2
InChIKeyYAKDYFRLJUCOAE-UHFFFAOYSA-N
XLogP3.32
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.70
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,5S)-8-[3-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 59367745
3-[3-[1-(4-methylnaphthalen-1-yl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 66754387
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
3-[3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propylsulfonyl]-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 46202740
[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 22721908
4-[1-[3-[(2S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
CID 59367785
4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
CID 66755190
1-(1-methylpiperidin-4-yl)-4-[3-[(2R)-1-naphthalen-1-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]piperazine
CID 46204662
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(1S,5R)-8-[1-[3-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]azetidin-3-yl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 68602953
(1R,5R)-3-pyridin-4-yloxy-8-[3-[(2S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]propylsulfonyl]-8-azabicyclo[3.2.1]octane
CID 46206286
1-(1-methylpiperidin-4-yl)-4-[4-(1-naphthalen-1-ylsulfonylpyrrolidin-2-yl)butylsulfonyl]piperazine;dihydrochloride
CID 66754332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine (CID 68603377) is 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine is O=S(=O)(CCCC1CCCN1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine?
The InChIKey is YAKDYFRLJUCOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S2/c31-35(32,29-18-16-28(17-19-29)24-11-13-27-14-12-24)20-4-8-25-7-3-15-30(25)36(33,34)26-10-9-22-5-1-2-6-23(22)21-26/h1-2,5-6,9-14,21,25H,3-4,7-8,15-20H2.
What are the key properties of 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine?
1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine has a molecular weight of 528.70 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 68603377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).