N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide

C11H18N2O2S — CID 61120325

IUPACN-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCO2)CCCC1
InChIInChI=1S/C11H18N2O2S/c12-10(16)11(5-1-2-6-11)13-9(14)8-4-3-7-15-8/h8H,1-7H2,(H2,12,16)(H,13,14)
InChIKeyGWMRGKDHEMOYGG-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.88
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide

N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide (PubChem CID 61120325) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide
PubChem CID61120325
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCO2)CCCC1
InChIInChI=1S/C11H18N2O2S/c12-10(16)11(5-1-2-6-11)13-9(14)8-4-3-7-15-8/h8H,1-7H2,(H2,12,16)(H,13,14)
InChIKeyGWMRGKDHEMOYGG-UHFFFAOYSA-N
XLogP0.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclopentyl)oxolane-2-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 N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide (CID 61120325) is N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide is NC(=S)C1(NC(=O)C2CCCO2)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide?
The InChIKey is GWMRGKDHEMOYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-10(16)11(5-1-2-6-11)13-9(14)8-4-3-7-15-8/h8H,1-7H2,(H2,12,16)(H,13,14).
What are the key properties of N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide?
N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)oxolane-2-carboxamide is sourced from PubChem (CID 61120325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).