4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide

C13H22N2O2S — CID 114111001

IUPAC4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide
SMILESCCCC1CC1NC(=O)C1(C(N)=S)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-2-3-9-8-10(9)15-12(16)13(11(14)18)4-6-17-7-5-13/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,16)
InChIKeyUANPQEFPOGPVOU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.37
Rot. Bonds5

About 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide

4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide (PubChem CID 114111001) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide
PubChem CID114111001
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide
SMILESCCCC1CC1NC(=O)C1(C(N)=S)CCOCC1
InChIInChI=1S/C13H22N2O2S/c1-2-3-9-8-10(9)15-12(16)13(11(14)18)4-6-17-7-5-13/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,16)
InChIKeyUANPQEFPOGPVOU-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide?
The IUPAC name of 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide (CID 114111001) is 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide?
The canonical SMILES for 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide is CCCC1CC1NC(=O)C1(C(N)=S)CCOCC1.
What is the InChIKey of 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide?
The InChIKey is UANPQEFPOGPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-3-9-8-10(9)15-12(16)13(11(14)18)4-6-17-7-5-13/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide?
4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(2-propylcyclopropyl)oxane-4-carboxamide is sourced from PubChem (CID 114111001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).