2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate

C12H25N3S2 — CID 515603

IUPAC2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate
SMILESCCN(CC)CCSC(=S)N1CCN(C)CC1
InChIInChI=1S/C12H25N3S2/c1-4-14(5-2)10-11-17-12(16)15-8-6-13(3)7-9-15/h4-11H2,1-3H3
InChIKeyFITAVGMHPCFOOT-UHFFFAOYSA-N
MW275.49 g/mol
LogP1.59
Rot. Bonds5

About 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate

2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate (PubChem CID 515603) has the molecular formula C12H25N3S2 and a molecular weight of 275.49 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate
PubChem CID515603
Molecular FormulaC12H25N3S2
Molecular Weight275.49 g/mol
Exact Mass275.15
IUPAC Name2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate
SMILESCCN(CC)CCSC(=S)N1CCN(C)CC1
InChIInChI=1S/C12H25N3S2/c1-4-14(5-2)10-11-17-12(16)15-8-6-13(3)7-9-15/h4-11H2,1-3H3
InChIKeyFITAVGMHPCFOOT-UHFFFAOYSA-N
XLogP1.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate?
The IUPAC name of 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate (CID 515603) is 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate?
The canonical SMILES for 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate is CCN(CC)CCSC(=S)N1CCN(C)CC1.
What is the InChIKey of 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate?
The InChIKey is FITAVGMHPCFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S2/c1-4-14(5-2)10-11-17-12(16)15-8-6-13(3)7-9-15/h4-11H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate?
2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate has a molecular weight of 275.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-methylpiperazine-1-carbodithioate is sourced from PubChem (CID 515603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).