1,4-dimethylpiperazine-2,5-dithione

C6H10N2S2 — CID 15147583

IUPAC1,4-dimethylpiperazine-2,5-dithione
SMILESCN1CC(=S)N(C)CC1=S
InChIInChI=1S/C6H10N2S2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3
InChIKeyGCPBAHISDBDJOW-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.52
Rot. Bonds

About 1,4-dimethylpiperazine-2,5-dithione

1,4-dimethylpiperazine-2,5-dithione (PubChem CID 15147583) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,4-dimethylpiperazine-2,5-dithione.

Molecular Properties

Compound Name1,4-dimethylpiperazine-2,5-dithione
PubChem CID15147583
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name1,4-dimethylpiperazine-2,5-dithione
SMILESCN1CC(=S)N(C)CC1=S
InChIInChI=1S/C6H10N2S2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3
InChIKeyGCPBAHISDBDJOW-UHFFFAOYSA-N
XLogP0.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine-2,5-dithione?
The IUPAC name of 1,4-dimethylpiperazine-2,5-dithione (CID 15147583) is 1,4-dimethylpiperazine-2,5-dithione.
What is the SMILES notation for 1,4-dimethylpiperazine-2,5-dithione?
The canonical SMILES for 1,4-dimethylpiperazine-2,5-dithione is CN1CC(=S)N(C)CC1=S.
What is the InChIKey of 1,4-dimethylpiperazine-2,5-dithione?
The InChIKey is GCPBAHISDBDJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine-2,5-dithione?
1,4-dimethylpiperazine-2,5-dithione has a molecular weight of 174.29 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine-2,5-dithione is sourced from PubChem (CID 15147583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).