1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine

C16H20N4O2S — CID 121151438

IUPAC1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-14-2-4-15(5-3-14)8-13-23(21,22)19-10-6-16(7-11-19)20-12-9-17-18-20/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3/b13-8+
InChIKeyJWFOYIDPNDLYJS-MDWZMJQESA-N
MW332.43 g/mol
LogP2.22
Rot. Bonds4

About 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine

1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine (PubChem CID 121151438) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
PubChem CID121151438
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1
InChIInChI=1S/C16H20N4O2S/c1-14-2-4-15(5-3-14)8-13-23(21,22)19-10-6-16(7-11-19)20-12-9-17-18-20/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3/b13-8+
InChIKeyJWFOYIDPNDLYJS-MDWZMJQESA-N
XLogP2.22
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592460
4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90494156
[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 121117192
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90617045
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
CID 47064565
(1R,5S)-8-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 95986010
1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine
CID 121151394
3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159635
4-(2-methylimidazol-1-yl)-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 122338878
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine (CID 121151438) is 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine is Cc1ccc(/C=C/S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine?
The InChIKey is JWFOYIDPNDLYJS-MDWZMJQESA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-14-2-4-15(5-3-14)8-13-23(21,22)19-10-6-16(7-11-19)20-12-9-17-18-20/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3/b13-8+.
What are the key properties of 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine?
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine has a molecular weight of 332.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 121151438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).