N-(2-methoxyethyl)morpholine-4-carbothioamide

C8H16N2O2S — CID 2168459

IUPACN-(2-methoxyethyl)morpholine-4-carbothioamide
SMILESCOCCNC(=S)N1CCOCC1
InChIInChI=1S/C8H16N2O2S/c1-11-5-2-9-8(13)10-3-6-12-7-4-10/h2-7H2,1H3,(H,9,13)
InChIKeyOGAFDINGKZHSMD-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.16
Rot. Bonds3

About N-(2-methoxyethyl)morpholine-4-carbothioamide

N-(2-methoxyethyl)morpholine-4-carbothioamide (PubChem CID 2168459) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)morpholine-4-carbothioamide
PubChem CID2168459
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(2-methoxyethyl)morpholine-4-carbothioamide
SMILESCOCCNC(=S)N1CCOCC1
InChIInChI=1S/C8H16N2O2S/c1-11-5-2-9-8(13)10-3-6-12-7-4-10/h2-7H2,1H3,(H,9,13)
InChIKeyOGAFDINGKZHSMD-UHFFFAOYSA-N
XLogP-0.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)morpholine-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-methoxyethyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-methoxyethyl)morpholine-4-carbothioamide (CID 2168459) is N-(2-methoxyethyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-methoxyethyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-methoxyethyl)morpholine-4-carbothioamide is COCCNC(=S)N1CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)morpholine-4-carbothioamide?
The InChIKey is OGAFDINGKZHSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-11-5-2-9-8(13)10-3-6-12-7-4-10/h2-7H2,1H3,(H,9,13).
What are the key properties of N-(2-methoxyethyl)morpholine-4-carbothioamide?
N-(2-methoxyethyl)morpholine-4-carbothioamide has a molecular weight of 204.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)morpholine-4-carbothioamide is sourced from PubChem (CID 2168459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).