(2-anilino-2-oxoethyl) morpholine-4-carbodithioate

C13H16N2O2S2 — CID 10266595

IUPAC(2-anilino-2-oxoethyl) morpholine-4-carbodithioate
SMILESO=C(CSC(=S)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H16N2O2S2/c16-12(14-11-4-2-1-3-5-11)10-19-13(18)15-6-8-17-9-7-15/h1-5H,6-10H2,(H,14,16)
InChIKeyUSMMMSGLPVJYOE-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.98
Rot. Bonds3

About (2-anilino-2-oxoethyl) morpholine-4-carbodithioate

(2-anilino-2-oxoethyl) morpholine-4-carbodithioate (PubChem CID 10266595) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) morpholine-4-carbodithioate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) morpholine-4-carbodithioate
PubChem CID10266595
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name(2-anilino-2-oxoethyl) morpholine-4-carbodithioate
SMILESO=C(CSC(=S)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H16N2O2S2/c16-12(14-11-4-2-1-3-5-11)10-19-13(18)15-6-8-17-9-7-15/h1-5H,6-10H2,(H,14,16)
InChIKeyUSMMMSGLPVJYOE-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
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-anilino-2-oxoethyl) morpholine-4-carbodithioate?
The IUPAC name of (2-anilino-2-oxoethyl) morpholine-4-carbodithioate (CID 10266595) is (2-anilino-2-oxoethyl) morpholine-4-carbodithioate.
What is the SMILES notation for (2-anilino-2-oxoethyl) morpholine-4-carbodithioate?
The canonical SMILES for (2-anilino-2-oxoethyl) morpholine-4-carbodithioate is O=C(CSC(=S)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) morpholine-4-carbodithioate?
The InChIKey is USMMMSGLPVJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c16-12(14-11-4-2-1-3-5-11)10-19-13(18)15-6-8-17-9-7-15/h1-5H,6-10H2,(H,14,16).
What are the key properties of (2-anilino-2-oxoethyl) morpholine-4-carbodithioate?
(2-anilino-2-oxoethyl) morpholine-4-carbodithioate has a molecular weight of 296.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) morpholine-4-carbodithioate is sourced from PubChem (CID 10266595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).