prop-2-enyl 4-methylpiperazine-1-carbodithioate

C9H16N2S2 — CID 10560696

IUPACprop-2-enyl 4-methylpiperazine-1-carbodithioate
SMILESC=CCSC(=S)N1CCN(C)CC1
InChIInChI=1S/C9H16N2S2/c1-3-8-13-9(12)11-6-4-10(2)5-7-11/h3H,1,4-8H2,2H3
InChIKeyLAHOUTFLFSICHN-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.44
Rot. Bonds2

About prop-2-enyl 4-methylpiperazine-1-carbodithioate

prop-2-enyl 4-methylpiperazine-1-carbodithioate (PubChem CID 10560696) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is prop-2-enyl 4-methylpiperazine-1-carbodithioate.

Molecular Properties

Compound Nameprop-2-enyl 4-methylpiperazine-1-carbodithioate
PubChem CID10560696
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Nameprop-2-enyl 4-methylpiperazine-1-carbodithioate
SMILESC=CCSC(=S)N1CCN(C)CC1
InChIInChI=1S/C9H16N2S2/c1-3-8-13-9(12)11-6-4-10(2)5-7-11/h3H,1,4-8H2,2H3
InChIKeyLAHOUTFLFSICHN-UHFFFAOYSA-N
XLogP1.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 prop-2-enyl 4-methylpiperazine-1-carbodithioate?
The IUPAC name of prop-2-enyl 4-methylpiperazine-1-carbodithioate (CID 10560696) is prop-2-enyl 4-methylpiperazine-1-carbodithioate.
What is the SMILES notation for prop-2-enyl 4-methylpiperazine-1-carbodithioate?
The canonical SMILES for prop-2-enyl 4-methylpiperazine-1-carbodithioate is C=CCSC(=S)N1CCN(C)CC1.
What is the InChIKey of prop-2-enyl 4-methylpiperazine-1-carbodithioate?
The InChIKey is LAHOUTFLFSICHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-3-8-13-9(12)11-6-4-10(2)5-7-11/h3H,1,4-8H2,2H3.
What are the key properties of prop-2-enyl 4-methylpiperazine-1-carbodithioate?
prop-2-enyl 4-methylpiperazine-1-carbodithioate has a molecular weight of 216.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methylpiperazine-1-carbodithioate is sourced from PubChem (CID 10560696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).