3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine

C12H24N2O2S — CID 129118275

IUPAC3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
SMILESCC1CN(C/C=C/S(=O)(=O)C(C)C)CC(C)N1
InChIInChI=1S/C12H24N2O2S/c1-10(2)17(15,16)7-5-6-14-8-11(3)13-12(4)9-14/h5,7,10-13H,6,8-9H2,1-4H3/b7-5+
InChIKeyDUBZTQCDRHXZHD-FNORWQNLSA-N
MW260.40 g/mol
LogP1.01
Rot. Bonds4

About 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine

3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine (PubChem CID 129118275) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
PubChem CID129118275
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
SMILESCC1CN(C/C=C/S(=O)(=O)C(C)C)CC(C)N1
InChIInChI=1S/C12H24N2O2S/c1-10(2)17(15,16)7-5-6-14-8-11(3)13-12(4)9-14/h5,7,10-13H,6,8-9H2,1-4H3/b7-5+
InChIKeyDUBZTQCDRHXZHD-FNORWQNLSA-N
XLogP1.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine (CID 129118275) is 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine is CC1CN(C/C=C/S(=O)(=O)C(C)C)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
The InChIKey is DUBZTQCDRHXZHD-FNORWQNLSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(2)17(15,16)7-5-6-14-8-11(3)13-12(4)9-14/h5,7,10-13H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine?
3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine has a molecular weight of 260.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine is sourced from PubChem (CID 129118275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).