[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate

C14H25N3OS2 — CID 134066141

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
SMILESCC1CCN(C(=O)CSC(=S)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3OS2/c1-12-3-5-16(6-4-12)13(18)11-20-14(19)17-9-7-15(2)8-10-17/h12H,3-11H2,1-2H3
InChIKeyZIFDGKMUMXQWIJ-UHFFFAOYSA-N
MW315.51 g/mol
LogP1.51
Rot. Bonds2

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate (PubChem CID 134066141) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
PubChem CID134066141
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
SMILESCC1CCN(C(=O)CSC(=S)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3OS2/c1-12-3-5-16(6-4-12)13(18)11-20-14(19)17-9-7-15(2)8-10-17/h12H,3-11H2,1-2H3
InChIKeyZIFDGKMUMXQWIJ-UHFFFAOYSA-N
XLogP1.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 4-methylpiperidine-1-carbodithioate
CID 4008886
2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate
CID 2560524
2-(4-methylpiperazine-1-carbothioyl)sulfanylacetic acid
CID 792683
[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
CID 95573600
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78767264
2-hydroxyethyl 4-methylpiperazine-1-carbodithioate
CID 10680470
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] thiocyanate
CID 21490093
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
CID 39922899

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate (CID 134066141) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate is CC1CCN(C(=O)CSC(=S)N2CCN(C)CC2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
The InChIKey is ZIFDGKMUMXQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS2/c1-12-3-5-16(6-4-12)13(18)11-20-14(19)17-9-7-15(2)8-10-17/h12H,3-11H2,1-2H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate has a molecular weight of 315.51 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate is sourced from PubChem (CID 134066141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).