1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine

C11H22N2O2S — CID 123765812

IUPAC1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine
SMILESCCS(=O)(=O)C=CCN1CC(C)NC(C)C1
InChIInChI=1S/C11H22N2O2S/c1-4-16(14,15)7-5-6-13-8-10(2)12-11(3)9-13/h5,7,10-12H,4,6,8-9H2,1-3H3
InChIKeyHGHFDDGJLQLDMH-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.62
Rot. Bonds4

About 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine

1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine (PubChem CID 123765812) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine
PubChem CID123765812
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine
SMILESCCS(=O)(=O)C=CCN1CC(C)NC(C)C1
InChIInChI=1S/C11H22N2O2S/c1-4-16(14,15)7-5-6-13-8-10(2)12-11(3)9-13/h5,7,10-12H,4,6,8-9H2,1-3H3
InChIKeyHGHFDDGJLQLDMH-UHFFFAOYSA-N
XLogP0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine?
The IUPAC name of 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine (CID 123765812) is 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine?
The canonical SMILES for 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine is CCS(=O)(=O)C=CCN1CC(C)NC(C)C1.
What is the InChIKey of 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine?
The InChIKey is HGHFDDGJLQLDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-4-16(14,15)7-5-6-13-8-10(2)12-11(3)9-13/h5,7,10-12H,4,6,8-9H2,1-3H3.
What are the key properties of 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine?
1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine has a molecular weight of 246.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine is sourced from PubChem (CID 123765812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).