4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide

C12H20N4S2 — CID 57350859

IUPAC4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
SMILESC=CCN(CC=C)C(=S)N1CCN(C(N)=S)CC1
InChIInChI=1S/C12H20N4S2/c1-3-5-15(6-4-2)12(18)16-9-7-14(8-10-16)11(13)17/h3-4H,1-2,5-10H2,(H2,13,17)
InChIKeyCLCCUMVRFDXFRZ-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.81
Rot. Bonds4

About 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide

4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide (PubChem CID 57350859) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide.

Molecular Properties

Compound Name4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
PubChem CID57350859
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
IUPAC Name4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
SMILESC=CCN(CC=C)C(=S)N1CCN(C(N)=S)CC1
InChIInChI=1S/C12H20N4S2/c1-3-5-15(6-4-2)12(18)16-9-7-14(8-10-16)11(13)17/h3-4H,1-2,5-10H2,(H2,13,17)
InChIKeyCLCCUMVRFDXFRZ-UHFFFAOYSA-N
XLogP0.81
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide?
The IUPAC name of 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide (CID 57350859) is 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide.
What is the SMILES notation for 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide?
The canonical SMILES for 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide is C=CCN(CC=C)C(=S)N1CCN(C(N)=S)CC1.
What is the InChIKey of 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide?
The InChIKey is CLCCUMVRFDXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/c1-3-5-15(6-4-2)12(18)16-9-7-14(8-10-16)11(13)17/h3-4H,1-2,5-10H2,(H2,13,17).
What are the key properties of 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide?
4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide has a molecular weight of 284.45 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide is sourced from PubChem (CID 57350859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).