propyl 4-butylpiperazine-1-carbodithioate

C12H24N2S2 — CID 127053201

IUPACpropyl 4-butylpiperazine-1-carbodithioate
SMILESCCCCN1CCN(C(=S)SCCC)CC1
InChIInChI=1S/C12H24N2S2/c1-3-5-6-13-7-9-14(10-8-13)12(15)16-11-4-2/h3-11H2,1-2H3
InChIKeyAPSGFBGBSQCGGD-UHFFFAOYSA-N
MW260.47 g/mol
LogP2.83
Rot. Bonds5

About propyl 4-butylpiperazine-1-carbodithioate

propyl 4-butylpiperazine-1-carbodithioate (PubChem CID 127053201) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is propyl 4-butylpiperazine-1-carbodithioate.

Molecular Properties

Compound Namepropyl 4-butylpiperazine-1-carbodithioate
PubChem CID127053201
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC Namepropyl 4-butylpiperazine-1-carbodithioate
SMILESCCCCN1CCN(C(=S)SCCC)CC1
InChIInChI=1S/C12H24N2S2/c1-3-5-6-13-7-9-14(10-8-13)12(15)16-11-4-2/h3-11H2,1-2H3
InChIKeyAPSGFBGBSQCGGD-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 propyl 4-butylpiperazine-1-carbodithioate?
The IUPAC name of propyl 4-butylpiperazine-1-carbodithioate (CID 127053201) is propyl 4-butylpiperazine-1-carbodithioate.
What is the SMILES notation for propyl 4-butylpiperazine-1-carbodithioate?
The canonical SMILES for propyl 4-butylpiperazine-1-carbodithioate is CCCCN1CCN(C(=S)SCCC)CC1.
What is the InChIKey of propyl 4-butylpiperazine-1-carbodithioate?
The InChIKey is APSGFBGBSQCGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-3-5-6-13-7-9-14(10-8-13)12(15)16-11-4-2/h3-11H2,1-2H3.
What are the key properties of propyl 4-butylpiperazine-1-carbodithioate?
propyl 4-butylpiperazine-1-carbodithioate has a molecular weight of 260.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-butylpiperazine-1-carbodithioate is sourced from PubChem (CID 127053201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).