1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine

C17H26N2O3S — CID 660285

IUPAC1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-2-4-12-18/h5-8,15H,2-4,9-14H2,1H3
InChIKeyGTKHNHAARGWYPM-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.33
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine

1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine (PubChem CID 660285) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine
PubChem CID660285
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-2-4-12-18/h5-8,15H,2-4,9-14H2,1H3
InChIKeyGTKHNHAARGWYPM-UHFFFAOYSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
4-(3-Piperidin-1-ylpropoxy)benzenesulfonamide
CID 70685675
N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
CID 700202
2-[(4-Methoxyphenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6467288
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine (CID 660285) is 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine is COc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine?
The InChIKey is GTKHNHAARGWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-2-4-12-18/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine?
1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine has a molecular weight of 338.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 660285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).