(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol

C25H31NO2S — CID 101200001

IUPAC(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol
SMILESCN=S(=O)(/C=C\[C@H](C1CCCCC1)[C@H](O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO2S/c1-26-29(28,23-15-9-4-10-16-23)20-19-24(22-13-7-3-8-14-22)25(27)18-17-21-11-5-2-6-12-21/h2,4-6,9-12,15-20,22,24-25,27H,3,7-8,13-14H2,1H3/b18-17+,20-19-/t24-,25-,29?/m1/s1
InChIKeyNSZKSDQGQUGTLW-DXLDTPCMSA-N
MW409.60 g/mol
LogP5.93
Rot. Bonds7

About (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol

(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol (PubChem CID 101200001) has the molecular formula C25H31NO2S and a molecular weight of 409.60 g/mol. Its IUPAC name is (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol
PubChem CID101200001
Molecular FormulaC25H31NO2S
Molecular Weight409.60 g/mol
Exact Mass409.21
IUPAC Name(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol
SMILESCN=S(=O)(/C=C\[C@H](C1CCCCC1)[C@H](O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31NO2S/c1-26-29(28,23-15-9-4-10-16-23)20-19-24(22-13-7-3-8-14-22)25(27)18-17-21-11-5-2-6-12-21/h2,4-6,9-12,15-20,22,24-25,27H,3,7-8,13-14H2,1H3/b18-17+,20-19-/t24-,25-,29?/m1/s1
InChIKeyNSZKSDQGQUGTLW-DXLDTPCMSA-N
XLogP5.93
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-cyclohexyl-3,5-diphenylpent-4-enal
CID 54752589
(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
CID 10852270
(E,4R,5S)-5-cyclohexyl-5-hydroxy-4-methyl-1-phenylpent-1-en-3-one
CID 11459971
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(E)-1-[(3aR,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol
CID 10248961
[(E,1S)-1-(benzenesulfonyl)-3-phenylprop-2-enyl] acetate
CID 102182706
(E)-N-cyclohexyl-2-[(1R,5S)-7-oxo-6-azabicyclo[3.2.0]heptan-6-yl]-4-phenylbut-3-enamide
CID 11348747
(E)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-ol
CID 54762908
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
CID 19804783
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606

Frequently Asked Questions

What is the IUPAC name of (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol (CID 101200001) is (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol is CN=S(=O)(/C=C\[C@H](C1CCCCC1)[C@H](O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol?
The InChIKey is NSZKSDQGQUGTLW-DXLDTPCMSA-N. The full InChI is InChI=1S/C25H31NO2S/c1-26-29(28,23-15-9-4-10-16-23)20-19-24(22-13-7-3-8-14-22)25(27)18-17-21-11-5-2-6-12-21/h2,4-6,9-12,15-20,22,24-25,27H,3,7-8,13-14H2,1H3/b18-17+,20-19-/t24-,25-,29?/m1/s1.
What are the key properties of (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol?
(1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol has a molecular weight of 409.60 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,4S,5Z)-4-cyclohexyl-6-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 101200001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).