1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C14H20N2O2S — CID 750930

IUPAC1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+
InChIKeyFOVOVNHELYBDGP-VMPITWQZSA-N
MW280.39 g/mol
LogP1.28
Rot. Bonds4

About 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 750930) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID750930
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+
InChIKeyFOVOVNHELYBDGP-VMPITWQZSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 750930) is 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is CS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is FOVOVNHELYBDGP-VMPITWQZSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(17,18)16-12-10-15(11-13-16)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+.
What are the key properties of 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 280.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 750930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).