N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide

C10H18N2O2S — CID 61120327

IUPACN-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H18N2O2S/c1-2-14-7-8(13)12-10(9(11)15)5-3-4-6-10/h2-7H2,1H3,(H2,11,15)(H,12,13)
InChIKeyZGWWFQWBJMYUOK-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.74
Rot. Bonds5

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

N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide (PubChem CID 61120327) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide
PubChem CID61120327
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H18N2O2S/c1-2-14-7-8(13)12-10(9(11)15)5-3-4-6-10/h2-7H2,1H3,(H2,11,15)(H,12,13)
InChIKeyZGWWFQWBJMYUOK-UHFFFAOYSA-N
XLogP0.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
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-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide (CID 61120327) is N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide is CCOCC(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide?
The InChIKey is ZGWWFQWBJMYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-14-7-8(13)12-10(9(11)15)5-3-4-6-10/h2-7H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide?
N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide has a molecular weight of 230.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-2-ethoxyacetamide is sourced from PubChem (CID 61120327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).