N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide

C13H24N2OS — CID 2957524

IUPACN-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide
SMILESCC1CN(C(=S)NC2CCCCC2)CC(C)O1
InChIInChI=1S/C13H24N2OS/c1-10-8-15(9-11(2)16-10)13(17)14-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyVLWINADMPFZZEA-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.30
Rot. Bonds1

About N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide

N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide (PubChem CID 2957524) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide
PubChem CID2957524
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide
SMILESCC1CN(C(=S)NC2CCCCC2)CC(C)O1
InChIInChI=1S/C13H24N2OS/c1-10-8-15(9-11(2)16-10)13(17)14-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,17)
InChIKeyVLWINADMPFZZEA-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide 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-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide (CID 2957524) is N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide is CC1CN(C(=S)NC2CCCCC2)CC(C)O1.
What is the InChIKey of N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide?
The InChIKey is VLWINADMPFZZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-8-15(9-11(2)16-10)13(17)14-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide?
N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide has a molecular weight of 256.41 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 2957524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).