N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide

C12H20N2O2S — CID 2229217

IUPACN-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)N1CCOCC1
InChIInChI=1S/C12H20N2O2S/c15-11(13-10-4-2-1-3-5-10)12(17)14-6-8-16-9-7-14/h10H,1-9H2,(H,13,15)
InChIKeyNJSNBZHYYZEIQC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.09
Rot. Bonds1

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

N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 2229217) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID2229217
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)N1CCOCC1
InChIInChI=1S/C12H20N2O2S/c15-11(13-10-4-2-1-3-5-10)12(17)14-6-8-16-9-7-14/h10H,1-9H2,(H,13,15)
InChIKeyNJSNBZHYYZEIQC-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.09
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-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 2229217) is N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide is O=C(NC1CCCCC1)C(=S)N1CCOCC1.
What is the InChIKey of N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is NJSNBZHYYZEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c15-11(13-10-4-2-1-3-5-10)12(17)14-6-8-16-9-7-14/h10H,1-9H2,(H,13,15).
What are the key properties of N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 256.37 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 2229217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).