(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol

C20H25NO2S — CID 11371321

IUPAC(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol
SMILESCN=S(=O)(c1ccccc1)[C@H](/C=C/C(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-16(2)14-15-19(20(22)17-10-6-4-7-11-17)24(23,21-3)18-12-8-5-9-13-18/h4-16,19-20,22H,1-3H3/b15-14+/t19-,20-,24?/m1/s1
InChIKeyPEGURLZQYVPKJK-AIBMVEKHSA-N
MW343.49 g/mol
LogP4.46
Rot. Bonds6

About (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol

(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol (PubChem CID 11371321) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol.

Molecular Properties

Compound Name(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol
PubChem CID11371321
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol
SMILESCN=S(=O)(c1ccccc1)[C@H](/C=C/C(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-16(2)14-15-19(20(22)17-10-6-4-7-11-17)24(23,21-3)18-12-8-5-9-13-18/h4-16,19-20,22H,1-3H3/b15-14+/t19-,20-,24?/m1/s1
InChIKeyPEGURLZQYVPKJK-AIBMVEKHSA-N
XLogP4.46
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10515054
(Z,1S,2S)-5-methyl-1-phenyl-2-(trifluoromethyl)hex-3-en-1-ol
CID 10729894
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606
[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene
CID 143136700
benzenesulfonyl(phenyl)methanol
CID 174895803
1,2-diphenylethane-1,2-diol
CID 159073808
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
cumene;sulfurochloridic acid
CID 23037521
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381

Frequently Asked Questions

What is the IUPAC name of (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol?
The IUPAC name of (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol (CID 11371321) is (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol.
What is the SMILES notation for (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol?
The canonical SMILES for (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol is CN=S(=O)(c1ccccc1)[C@H](/C=C/C(C)C)[C@H](O)c1ccccc1.
What is the InChIKey of (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol?
The InChIKey is PEGURLZQYVPKJK-AIBMVEKHSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-16(2)14-15-19(20(22)17-10-6-4-7-11-17)24(23,21-3)18-12-8-5-9-13-18/h4-16,19-20,22H,1-3H3/b15-14+/t19-,20-,24?/m1/s1.
What are the key properties of (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol?
(E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol has a molecular weight of 343.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,2R)-5-methyl-2-(N-methyl-S-phenylsulfonimidoyl)-1-phenylhex-3-en-1-ol is sourced from PubChem (CID 11371321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).