N,2,6-trimethylmorpholine-4-carbothioamide

C8H16N2OS — CID 19654293

IUPACN,2,6-trimethylmorpholine-4-carbothioamide
SMILESCNC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C8H16N2OS/c1-6-4-10(8(12)9-3)5-7(2)11-6/h6-7H,4-5H2,1-3H3,(H,9,12)
InChIKeyCIKREJHRXDFDCJ-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.60
Rot. Bonds

About N,2,6-trimethylmorpholine-4-carbothioamide

N,2,6-trimethylmorpholine-4-carbothioamide (PubChem CID 19654293) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N,2,6-trimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN,2,6-trimethylmorpholine-4-carbothioamide
PubChem CID19654293
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN,2,6-trimethylmorpholine-4-carbothioamide
SMILESCNC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C8H16N2OS/c1-6-4-10(8(12)9-3)5-7(2)11-6/h6-7H,4-5H2,1-3H3,(H,9,12)
InChIKeyCIKREJHRXDFDCJ-UHFFFAOYSA-N
XLogP0.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2,6-trimethylmorpholine-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,2,6-trimethylmorpholine-4-carbothioamide?
The IUPAC name of N,2,6-trimethylmorpholine-4-carbothioamide (CID 19654293) is N,2,6-trimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N,2,6-trimethylmorpholine-4-carbothioamide?
The canonical SMILES for N,2,6-trimethylmorpholine-4-carbothioamide is CNC(=S)N1CC(C)OC(C)C1.
What is the InChIKey of N,2,6-trimethylmorpholine-4-carbothioamide?
The InChIKey is CIKREJHRXDFDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6-4-10(8(12)9-3)5-7(2)11-6/h6-7H,4-5H2,1-3H3,(H,9,12).
What are the key properties of N,2,6-trimethylmorpholine-4-carbothioamide?
N,2,6-trimethylmorpholine-4-carbothioamide has a molecular weight of 188.30 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 19654293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).