propyl 4-prop-2-enylpiperazine-1-carbodithioate

C11H20N2S2 — CID 127031805

IUPACpropyl 4-prop-2-enylpiperazine-1-carbodithioate
SMILESC=CCN1CCN(C(=S)SCCC)CC1
InChIInChI=1S/C11H20N2S2/c1-3-5-12-6-8-13(9-7-12)11(14)15-10-4-2/h3H,1,4-10H2,2H3
InChIKeyUKHCHJBEVXLGFT-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.22
Rot. Bonds4

About propyl 4-prop-2-enylpiperazine-1-carbodithioate

propyl 4-prop-2-enylpiperazine-1-carbodithioate (PubChem CID 127031805) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is propyl 4-prop-2-enylpiperazine-1-carbodithioate.

Molecular Properties

Compound Namepropyl 4-prop-2-enylpiperazine-1-carbodithioate
PubChem CID127031805
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Namepropyl 4-prop-2-enylpiperazine-1-carbodithioate
SMILESC=CCN1CCN(C(=S)SCCC)CC1
InChIInChI=1S/C11H20N2S2/c1-3-5-12-6-8-13(9-7-12)11(14)15-10-4-2/h3H,1,4-10H2,2H3
InChIKeyUKHCHJBEVXLGFT-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propyl 4-prop-2-enylpiperazine-1-carbodithioate 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 propyl 4-prop-2-enylpiperazine-1-carbodithioate?
The IUPAC name of propyl 4-prop-2-enylpiperazine-1-carbodithioate (CID 127031805) is propyl 4-prop-2-enylpiperazine-1-carbodithioate.
What is the SMILES notation for propyl 4-prop-2-enylpiperazine-1-carbodithioate?
The canonical SMILES for propyl 4-prop-2-enylpiperazine-1-carbodithioate is C=CCN1CCN(C(=S)SCCC)CC1.
What is the InChIKey of propyl 4-prop-2-enylpiperazine-1-carbodithioate?
The InChIKey is UKHCHJBEVXLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-3-5-12-6-8-13(9-7-12)11(14)15-10-4-2/h3H,1,4-10H2,2H3.
What are the key properties of propyl 4-prop-2-enylpiperazine-1-carbodithioate?
propyl 4-prop-2-enylpiperazine-1-carbodithioate has a molecular weight of 244.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-prop-2-enylpiperazine-1-carbodithioate is sourced from PubChem (CID 127031805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).