N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide

C13H20N2O3S — CID 5157994

IUPACN-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCC1SCC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3S/c1-9-13(18)15(12(17)8-19-9)7-11(16)14-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyWLIZQSDOIOHDNZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.93
Rot. Bonds3

About N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide

N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide (PubChem CID 5157994) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
PubChem CID5157994
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCC1SCC(=O)N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3S/c1-9-13(18)15(12(17)8-19-9)7-11(16)14-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyWLIZQSDOIOHDNZ-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide (CID 5157994) is N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide is CC1SCC(=O)N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The InChIKey is WLIZQSDOIOHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-13(18)15(12(17)8-19-9)7-11(16)14-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide is sourced from PubChem (CID 5157994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).