1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane

C80H109N3O6S3 — CID 159646265

IUPAC1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane
SMILESC.C.C.C=C(c1ccc(S(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.COc1ccc(S(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33NO2S.C26H33NOS.C25H31NO3S.3CH4/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26;1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)29-26-14-10-24(28-2)11-15-26;1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21;;;/h8-15,22-23H,1,3-7,16-19H2,2H3;8-15,22-23H,1,3-7,16-19H2,2H3;7-14,20-21H,2-6,15-18H2,1H3;3*1H4
InChIKeyMQZOMNRCFLEKGS-UHFFFAOYSA-N
MW1304.97 g/mol
LogP19.82
Rot. Bonds18

About 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane

1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane (PubChem CID 159646265) has the molecular formula C80H109N3O6S3 and a molecular weight of 1304.97 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane
PubChem CID159646265
Molecular FormulaC80H109N3O6S3
Molecular Weight1304.97 g/mol
Exact Mass1303.75
IUPAC Name1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane
SMILESC.C.C.C=C(c1ccc(S(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.COc1ccc(S(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33NO2S.C26H33NOS.C25H31NO3S.3CH4/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26;1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)29-26-14-10-24(28-2)11-15-26;1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21;;;/h8-15,22-23H,1,3-7,16-19H2,2H3;8-15,22-23H,1,3-7,16-19H2,2H3;7-14,20-21H,2-6,15-18H2,1H3;3*1H4
InChIKeyMQZOMNRCFLEKGS-UHFFFAOYSA-N
XLogP19.82
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001304.97
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
(1-cyclohexylpiperidin-4-yl)-(4-pyridin-2-ylsulfinylphenyl)methanone
CID 10135393
1-cyclohexyl-4-[2-[4-(4-methoxyphenyl)sulfinylphenyl]propan-2-yl]piperidine
CID 10203593
1-cyclohexyl-4-[2,2,2-trifluoro-1-[4-(4-methoxyphenyl)sulfinylphenyl]ethyl]piperazine
CID 10299489
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
CID 144968395
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
[1-(3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 67993078
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane?
The IUPAC name of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane (CID 159646265) is 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane.
What is the SMILES notation for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane?
The canonical SMILES for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane is C.C.C.C=C(c1ccc(S(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1.COc1ccc(S(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane?
The InChIKey is MQZOMNRCFLEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2S.C26H33NOS.C25H31NO3S.3CH4/c1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)30(28)26-14-10-24(29-2)11-15-26;1-20(22-16-18-27(19-17-22)23-6-4-3-5-7-23)21-8-12-25(13-9-21)29-26-14-10-24(28-2)11-15-26;1-29-22-9-13-24(14-10-22)30(28)23-11-7-19(8-12-23)25(27)20-15-17-26(18-16-20)21-5-3-2-4-6-21;;;/h8-15,22-23H,1,3-7,16-19H2,2H3;8-15,22-23H,1,3-7,16-19H2,2H3;7-14,20-21H,2-6,15-18H2,1H3;3*1H4.
What are the key properties of 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane?
1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane has a molecular weight of 1304.97 g/mol, XLogP of 19.82, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfanylphenyl]ethenyl]piperidine;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfinylphenyl]ethenyl]piperidine;(1-cyclohexylpiperidin-4-yl)-[4-(4-methoxyphenyl)sulfinylphenyl]methanone;methane is sourced from PubChem (CID 159646265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).