2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C15H20N2OS — CID 6468301

IUPAC2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C15H20N2OS/c1-2-8-16-9-11-17(12-10-16)15(18)13-19-14-6-4-3-5-7-14/h2-7H,1,8-13H2
InChIKeyQOGGHGNIRYUWBB-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.11
Rot. Bonds5

About 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 6468301) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID6468301
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C15H20N2OS/c1-2-8-16-9-11-17(12-10-16)15(18)13-19-14-6-4-3-5-7-14/h2-7H,1,8-13H2
InChIKeyQOGGHGNIRYUWBB-UHFFFAOYSA-N
XLogP2.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone 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 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 6468301) is 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)CSc2ccccc2)CC1.
What is the InChIKey of 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is QOGGHGNIRYUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-8-16-9-11-17(12-10-16)15(18)13-19-14-6-4-3-5-7-14/h2-7H,1,8-13H2.
What are the key properties of 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 276.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 6468301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).