2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide

C12H14N2O2S — CID 559922

IUPAC2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccc1)C(=S)N1CCOCC1
InChIInChI=1S/C12H14N2O2S/c15-11(13-10-4-2-1-3-5-10)12(17)14-6-8-16-9-7-14/h1-5H,6-9H2,(H,13,15)
InChIKeyFRIHAKUXKKBRGH-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.28
Rot. Bonds1

About 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide

2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide (PubChem CID 559922) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide
PubChem CID559922
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccccc1)C(=S)N1CCOCC1
InChIInChI=1S/C12H14N2O2S/c15-11(13-10-4-2-1-3-5-10)12(17)14-6-8-16-9-7-14/h1-5H,6-9H2,(H,13,15)
InChIKeyFRIHAKUXKKBRGH-UHFFFAOYSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide?
The IUPAC name of 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide (CID 559922) is 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide?
The canonical SMILES for 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide is O=C(Nc1ccccc1)C(=S)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide?
The InChIKey is FRIHAKUXKKBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11(13-10-4-2-1-3-5-10)12(17)14-6-8-16-9-7-14/h1-5H,6-9H2,(H,13,15).
What are the key properties of 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide?
2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide has a molecular weight of 250.32 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-phenyl-2-sulfanylideneacetamide is sourced from PubChem (CID 559922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).