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

C13H22N2O2S2 — CID 3880988

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate
SMILESCC1CCN(C(=S)SCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H22N2O2S2/c1-11-2-4-15(5-3-11)13(18)19-10-12(16)14-6-8-17-9-7-14/h11H,2-10H2,1H3
InChIKeyFIPDLIJPIPHFQG-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.60
Rot. Bonds2

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

(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate (PubChem CID 3880988) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate
PubChem CID3880988
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate
SMILESCC1CCN(C(=S)SCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H22N2O2S2/c1-11-2-4-15(5-3-11)13(18)19-10-12(16)14-6-8-17-9-7-14/h11H,2-10H2,1H3
InChIKeyFIPDLIJPIPHFQG-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylpiperidine-1-carbodithioate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate (CID 3880988) is (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate is CC1CCN(C(=S)SCC(=O)N2CCOCC2)CC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate?
The InChIKey is FIPDLIJPIPHFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-11-2-4-15(5-3-11)13(18)19-10-12(16)14-6-8-17-9-7-14/h11H,2-10H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate?
(2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate has a molecular weight of 302.47 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-methylpiperidine-1-carbodithioate is sourced from PubChem (CID 3880988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).