1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine

C22H34N2O2S — CID 67246345

IUPAC1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1)N1CC(N2CCCCC2)CCC1C1CCCCC1
InChIInChI=1S/C22H34N2O2S/c25-27(26,21-12-6-2-7-13-21)24-18-20(23-16-8-3-9-17-23)14-15-22(24)19-10-4-1-5-11-19/h2,6-7,12-13,19-20,22H,1,3-5,8-11,14-18H2
InChIKeyQJXGKRQZFILGLV-UHFFFAOYSA-N
MW390.59 g/mol
LogP4.27
Rot. Bonds4

About 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine

1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine (PubChem CID 67246345) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine
PubChem CID67246345
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC Name1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1)N1CC(N2CCCCC2)CCC1C1CCCCC1
InChIInChI=1S/C22H34N2O2S/c25-27(26,21-12-6-2-7-13-21)24-18-20(23-16-8-3-9-17-23)14-15-22(24)19-10-4-1-5-11-19/h2,6-7,12-13,19-20,22H,1,3-5,8-11,14-18H2
InChIKeyQJXGKRQZFILGLV-UHFFFAOYSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54592723
(2R)-1-(benzenesulfonyl)-2-piperidin-4-ylazepane
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2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
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4-[1-(benzenesulfonyl)pyrrolidin-2-yl]piperidine
CID 60978954
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CID 60620481
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
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CID 6946060
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-[1-(benzenesulfonyl)piperidin-3-yl]azepan-3-amine
CID 66903733
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol
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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine?
The IUPAC name of 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine (CID 67246345) is 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine is O=S(=O)(c1ccccc1)N1CC(N2CCCCC2)CCC1C1CCCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine?
The InChIKey is QJXGKRQZFILGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c25-27(26,21-12-6-2-7-13-21)24-18-20(23-16-8-3-9-17-23)14-15-22(24)19-10-4-1-5-11-19/h2,6-7,12-13,19-20,22H,1,3-5,8-11,14-18H2.
What are the key properties of 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine?
1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine has a molecular weight of 390.59 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine is sourced from PubChem (CID 67246345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).