N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide

C12H12F2N2O2S — CID 59738066

IUPACN-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1c(F)cccc1F)C(=S)N1CCOCC1
InChIInChI=1S/C12H12F2N2O2S/c13-8-2-1-3-9(14)10(8)15-11(17)12(19)16-4-6-18-7-5-16/h1-3H,4-7H2,(H,15,17)
InChIKeyICTYQQYCHYVFTB-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.56
Rot. Bonds1

About N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide

N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 59738066) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID59738066
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC NameN-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1c(F)cccc1F)C(=S)N1CCOCC1
InChIInChI=1S/C12H12F2N2O2S/c13-8-2-1-3-9(14)10(8)15-11(17)12(19)16-4-6-18-7-5-16/h1-3H,4-7H2,(H,15,17)
InChIKeyICTYQQYCHYVFTB-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.56
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 N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 59738066) is N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide is O=C(Nc1c(F)cccc1F)C(=S)N1CCOCC1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is ICTYQQYCHYVFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c13-8-2-1-3-9(14)10(8)15-11(17)12(19)16-4-6-18-7-5-16/h1-3H,4-7H2,(H,15,17).
What are the key properties of N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 286.30 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 59738066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).