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

C15H26N2OS2 — CID 3588749

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
SMILESCC1CCN(C(=O)CSC(=S)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H26N2OS2/c1-12-3-7-16(8-4-12)14(18)11-20-15(19)17-9-5-13(2)6-10-17/h12-13H,3-11H2,1-2H3
InChIKeyZERUGPXVTCWJEV-UHFFFAOYSA-N
MW314.52 g/mol
LogP2.99
Rot. Bonds2

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

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate (PubChem CID 3588749) has the molecular formula C15H26N2OS2 and a molecular weight of 314.52 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
PubChem CID3588749
Molecular FormulaC15H26N2OS2
Molecular Weight314.52 g/mol
Exact Mass314.15
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
SMILESCC1CCN(C(=O)CSC(=S)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H26N2OS2/c1-12-3-7-16(8-4-12)14(18)11-20-15(19)17-9-5-13(2)6-10-17/h12-13H,3-11H2,1-2H3
InChIKeyZERUGPXVTCWJEV-UHFFFAOYSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 52.99
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 [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate (CID 3588749) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate is CC1CCN(C(=O)CSC(=S)N2CCC(C)CC2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate?
The InChIKey is ZERUGPXVTCWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS2/c1-12-3-7-16(8-4-12)14(18)11-20-15(19)17-9-5-13(2)6-10-17/h12-13H,3-11H2,1-2H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate has a molecular weight of 314.52 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate is sourced from PubChem (CID 3588749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).