N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide

C13H24N2O2S — CID 61123744

IUPACN-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C13H24N2O2S/c1-2-17-10-11(16)15-13(12(14)18)8-6-4-3-5-7-9-13/h2-10H2,1H3,(H2,14,18)(H,15,16)
InChIKeyVFXRPUWVPHYVOP-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.91
Rot. Bonds5

About N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide

N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide (PubChem CID 61123744) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide
PubChem CID61123744
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCCCCCC1
InChIInChI=1S/C13H24N2O2S/c1-2-17-10-11(16)15-13(12(14)18)8-6-4-3-5-7-9-13/h2-10H2,1H3,(H2,14,18)(H,15,16)
InChIKeyVFXRPUWVPHYVOP-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208336
N-(1-carbamothioylcyclooctyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208352
N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethoxyacetamide
CID 61119956
N-(1-carbamothioylcycloheptyl)-2-ethoxyacetamide
CID 61120174
N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide
CID 61120327
N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
CID 61121561
N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide
CID 61121727
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-ethoxyacetamide
CID 61121811
N-(1-carbamothioylcyclopentyl)-2-methoxyacetamide
CID 61278988
N-(1-carbamothioylcyclohexyl)-2-methoxyacetamide
CID 61278989
N-(1-carbamothioyl-4-methylcyclohexyl)-2-methoxyacetamide
CID 61279186
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxyacetamide
CID 61279187

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide?
The IUPAC name of N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide (CID 61123744) is N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide?
The canonical SMILES for N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide is CCOCC(=O)NC1(C(N)=S)CCCCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide?
The InChIKey is VFXRPUWVPHYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-17-10-11(16)15-13(12(14)18)8-6-4-3-5-7-9-13/h2-10H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide?
N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide has a molecular weight of 272.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide is sourced from PubChem (CID 61123744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).