(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol

C22H28N2O4S — CID 8761717

IUPAC(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(C[C@H](O)COCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/b16-11+/t22-/m0/s1
InChIKeyGOPYWYHMVQOUGZ-GSTVHYHFSA-N
MW416.54 g/mol
LogP2.18
Rot. Bonds9

About (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol

(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 8761717) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID8761717
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCN(C[C@H](O)COCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/b16-11+/t22-/m0/s1
InChIKeyGOPYWYHMVQOUGZ-GSTVHYHFSA-N
XLogP2.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol 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-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 6212489
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
1-(2,5-dimethylphenoxy)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 16553382
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol (CID 8761717) is (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol is O=S(=O)(/C=C/c1ccccc1)N1CCN(C[C@H](O)COCc2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is GOPYWYHMVQOUGZ-GSTVHYHFSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/b16-11+/t22-/m0/s1.
What are the key properties of (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 416.54 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 8761717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).