1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine

C14H20N2O3S — CID 167833255

IUPAC1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
SMILESC/C=C/S(=O)(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-12-20(17,18)16-10-8-15(9-11-16)13-6-4-5-7-14(13)19-2/h3-7,12H,8-11H2,1-2H3/b12-3+
InChIKeyUTZKGSGIQOTUBN-KGVSQERTSA-N
MW296.39 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine

1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine (PubChem CID 167833255) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
PubChem CID167833255
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
SMILESC/C=C/S(=O)(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-12-20(17,18)16-10-8-15(9-11-16)13-6-4-5-7-14(13)19-2/h3-7,12H,8-11H2,1-2H3/b12-3+
InChIKeyUTZKGSGIQOTUBN-KGVSQERTSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
CID 176933740
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
1-(2-methoxyphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
CID 1049011

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine (CID 167833255) is 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine is C/C=C/S(=O)(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine?
The InChIKey is UTZKGSGIQOTUBN-KGVSQERTSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-12-20(17,18)16-10-8-15(9-11-16)13-6-4-5-7-14(13)19-2/h3-7,12H,8-11H2,1-2H3/b12-3+.
What are the key properties of 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine?
1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine has a molecular weight of 296.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine is sourced from PubChem (CID 167833255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).