1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol

C16H24N2O3S — CID 111105700

IUPAC1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-16(19)14-17-9-11-18(12-10-17)22(20,21)13-8-15-6-4-3-5-7-15/h3-8,13,16,19H,2,9-12,14H2,1H3/b13-8+
InChIKeyCIWJTGLQZCFDQK-MDWZMJQESA-N
MW324.45 g/mol
LogP1.38
Rot. Bonds6

About 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol

1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol (PubChem CID 111105700) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
PubChem CID111105700
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-16(19)14-17-9-11-18(12-10-17)22(20,21)13-8-15-6-4-3-5-7-15/h3-8,13,16,19H,2,9-12,14H2,1H3/b13-8+
InChIKeyCIWJTGLQZCFDQK-MDWZMJQESA-N
XLogP1.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 6212489
(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 8761717
1-(2,5-dimethylphenoxy)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 16553382
4-[[2-hydroxy-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propyl]amino]benzenecarboximidamide
CID 139910170
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8689701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol (CID 111105700) is 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol is CCC(O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol?
The InChIKey is CIWJTGLQZCFDQK-MDWZMJQESA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-16(19)14-17-9-11-18(12-10-17)22(20,21)13-8-15-6-4-3-5-7-15/h3-8,13,16,19H,2,9-12,14H2,1H3/b13-8+.
What are the key properties of 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol?
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol has a molecular weight of 324.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111105700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).