hexyl 4-butylpiperazine-1-carbodithioate

C15H30N2S2 — CID 127030289

IUPAChexyl 4-butylpiperazine-1-carbodithioate
SMILESCCCCCCSC(=S)N1CCN(CCCC)CC1
InChIInChI=1S/C15H30N2S2/c1-3-5-7-8-14-19-15(18)17-12-10-16(11-13-17)9-6-4-2/h3-14H2,1-2H3
InChIKeyZDPPXTAUOQAZDQ-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.00
Rot. Bonds8

About hexyl 4-butylpiperazine-1-carbodithioate

hexyl 4-butylpiperazine-1-carbodithioate (PubChem CID 127030289) has the molecular formula C15H30N2S2 and a molecular weight of 302.55 g/mol. Its IUPAC name is hexyl 4-butylpiperazine-1-carbodithioate.

Molecular Properties

Compound Namehexyl 4-butylpiperazine-1-carbodithioate
PubChem CID127030289
Molecular FormulaC15H30N2S2
Molecular Weight302.55 g/mol
Exact Mass302.19
IUPAC Namehexyl 4-butylpiperazine-1-carbodithioate
SMILESCCCCCCSC(=S)N1CCN(CCCC)CC1
InChIInChI=1S/C15H30N2S2/c1-3-5-7-8-14-19-15(18)17-12-10-16(11-13-17)9-6-4-2/h3-14H2,1-2H3
InChIKeyZDPPXTAUOQAZDQ-UHFFFAOYSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl 4-butylpiperazine-1-carbodithioate?
The IUPAC name of hexyl 4-butylpiperazine-1-carbodithioate (CID 127030289) is hexyl 4-butylpiperazine-1-carbodithioate.
What is the SMILES notation for hexyl 4-butylpiperazine-1-carbodithioate?
The canonical SMILES for hexyl 4-butylpiperazine-1-carbodithioate is CCCCCCSC(=S)N1CCN(CCCC)CC1.
What is the InChIKey of hexyl 4-butylpiperazine-1-carbodithioate?
The InChIKey is ZDPPXTAUOQAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S2/c1-3-5-7-8-14-19-15(18)17-12-10-16(11-13-17)9-6-4-2/h3-14H2,1-2H3.
What are the key properties of hexyl 4-butylpiperazine-1-carbodithioate?
hexyl 4-butylpiperazine-1-carbodithioate has a molecular weight of 302.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 4-butylpiperazine-1-carbodithioate is sourced from PubChem (CID 127030289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).