1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine

C10H20N2O2S — CID 129118278

IUPAC1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
SMILESCC(C)S(=O)(=O)/C=C/CN1CCNCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2)15(13,14)9-3-6-12-7-4-11-5-8-12/h3,9-11H,4-8H2,1-2H3/b9-3+
InChIKeyCSSPENPVMIYBMS-YCRREMRBSA-N
MW232.35 g/mol
LogP0.23
Rot. Bonds4

About 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine

1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine (PubChem CID 129118278) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
PubChem CID129118278
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
SMILESCC(C)S(=O)(=O)/C=C/CN1CCNCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2)15(13,14)9-3-6-12-7-4-11-5-8-12/h3,9-11H,4-8H2,1-2H3/b9-3+
InChIKeyCSSPENPVMIYBMS-YCRREMRBSA-N
XLogP0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine (CID 129118278) is 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine is CC(C)S(=O)(=O)/C=C/CN1CCNCC1.
What is the InChIKey of 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
The InChIKey is CSSPENPVMIYBMS-YCRREMRBSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2)15(13,14)9-3-6-12-7-4-11-5-8-12/h3,9-11H,4-8H2,1-2H3/b9-3+.
What are the key properties of 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine has a molecular weight of 232.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine is sourced from PubChem (CID 129118278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).