5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine

C22H27NO2S — CID 102436377

IUPAC5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)CCC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-18-9-13-21(14-10-18)26(24,25)23-17-22(2,3)16-15-20(23)12-11-19-7-5-4-6-8-19/h4-14,20H,15-17H2,1-3H3/b12-11+
InChIKeyOBXSACMQORITHV-VAWYXSNFSA-N
MW369.53 g/mol
LogP4.89
Rot. Bonds4

About 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine

5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine (PubChem CID 102436377) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
PubChem CID102436377
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)CCC2/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-18-9-13-21(14-10-18)26(24,25)23-17-22(2,3)16-15-20(23)12-11-19-7-5-4-6-8-19/h4-14,20H,15-17H2,1-3H3/b12-11+
InChIKeyOBXSACMQORITHV-VAWYXSNFSA-N
XLogP4.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-(4-phenylphenyl)ethenyl]azepane
CID 165177342
9-(4-methylphenyl)sulfonyl-8-[(E)-2-phenylethenyl]-9-azaspiro[5.6]dodecane
CID 165177345
4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
CID 162411653
2-(fluoromethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 134964505
1-(benzenesulfonyl)-2,5,5-trimethylpiperidine
CID 24799740
N-hydroxy-5,5-dimethyl-1,3-bis-(4-methylphenyl)sulfonyl-1,3-diazinane-2-carboxamide
CID 59079719
(2E)-2-[1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]pyrrolidin-3-ylidene]-N,N-diphenylacetamide
CID 24767355
(2S,3R,6S)-2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 170172684
2,3-dimethyl-4-(4-methylphenyl)sulfonyl-6-[(E)-2-phenylethenyl]morpholine
CID 175950133
4,4-dimethyl-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 165177333
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazinane
CID 16731482
(2R,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,5-dihydropyrrole
CID 134926258

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine?
The IUPAC name of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine (CID 102436377) is 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine.
What is the SMILES notation for 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine?
The canonical SMILES for 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine is Cc1ccc(S(=O)(=O)N2CC(C)(C)CCC2/C=C/c2ccccc2)cc1.
What is the InChIKey of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine?
The InChIKey is OBXSACMQORITHV-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-18-9-13-21(14-10-18)26(24,25)23-17-22(2,3)16-15-20(23)12-11-19-7-5-4-6-8-19/h4-14,20H,15-17H2,1-3H3/b12-11+.
What are the key properties of 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine?
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine has a molecular weight of 369.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine is sourced from PubChem (CID 102436377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).