1-(3-ethylsulfonylprop-2-enyl)piperazine

C9H18N2O2S — CID 56613702

IUPAC1-(3-ethylsulfonylprop-2-enyl)piperazine
SMILESCCS(=O)(=O)C=CCN1CCNCC1
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)9-3-6-11-7-4-10-5-8-11/h3,9-10H,2,4-8H2,1H3
InChIKeyKGKDCYTUKZIGDR-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.16
Rot. Bonds4

About 1-(3-ethylsulfonylprop-2-enyl)piperazine

1-(3-ethylsulfonylprop-2-enyl)piperazine (PubChem CID 56613702) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(3-ethylsulfonylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(3-ethylsulfonylprop-2-enyl)piperazine
PubChem CID56613702
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-(3-ethylsulfonylprop-2-enyl)piperazine
SMILESCCS(=O)(=O)C=CCN1CCNCC1
InChIInChI=1S/C9H18N2O2S/c1-2-14(12,13)9-3-6-11-7-4-10-5-8-11/h3,9-10H,2,4-8H2,1H3
InChIKeyKGKDCYTUKZIGDR-UHFFFAOYSA-N
XLogP-0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethylsulfonylprop-2-enyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylprop-2-enyl)piperazine?
The IUPAC name of 1-(3-ethylsulfonylprop-2-enyl)piperazine (CID 56613702) is 1-(3-ethylsulfonylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(3-ethylsulfonylprop-2-enyl)piperazine?
The canonical SMILES for 1-(3-ethylsulfonylprop-2-enyl)piperazine is CCS(=O)(=O)C=CCN1CCNCC1.
What is the InChIKey of 1-(3-ethylsulfonylprop-2-enyl)piperazine?
The InChIKey is KGKDCYTUKZIGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-14(12,13)9-3-6-11-7-4-10-5-8-11/h3,9-10H,2,4-8H2,1H3.
What are the key properties of 1-(3-ethylsulfonylprop-2-enyl)piperazine?
1-(3-ethylsulfonylprop-2-enyl)piperazine has a molecular weight of 218.32 g/mol, XLogP of -0.16, 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)piperazine is sourced from PubChem (CID 56613702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).