(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate

C12H21N3O2S2 — CID 9458524

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate
SMILESCN1CCN(C(=S)SCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-13-2-4-15(5-3-13)12(18)19-10-11(16)14-6-8-17-9-7-14/h2-10H2,1H3
InChIKeyHOMUZIFRADZPPA-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.11
Rot. Bonds2

About (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate

(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate (PubChem CID 9458524) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate
PubChem CID9458524
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate
SMILESCN1CCN(C(=S)SCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-13-2-4-15(5-3-13)12(18)19-10-11(16)14-6-8-17-9-7-14/h2-10H2,1H3
InChIKeyHOMUZIFRADZPPA-UHFFFAOYSA-N
XLogP0.11
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate (CID 9458524) is (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate is CN1CCN(C(=S)SCC(=O)N2CCOCC2)CC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate?
The InChIKey is HOMUZIFRADZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-13-2-4-15(5-3-13)12(18)19-10-11(16)14-6-8-17-9-7-14/h2-10H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate?
(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate has a molecular weight of 303.45 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperazine-1-carbodithioate is sourced from PubChem (CID 9458524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).