ethanethioamide;morpholine;hydrochloride

C6H15ClN2OS — CID 19864889

IUPACethanethioamide;morpholine;hydrochloride
SMILESC1COCCN1.CC(N)=S.Cl
InChIInChI=1S/C4H9NO.C2H5NS.ClH/c1-3-6-4-2-5-1;1-2(3)4;/h5H,1-4H2;1H3,(H2,3,4);1H
InChIKeyHFUJSHPWHASWFY-UHFFFAOYSA-N
MW198.72 g/mol
LogP0.32
Rot. Bonds

About ethanethioamide;morpholine;hydrochloride

ethanethioamide;morpholine;hydrochloride (PubChem CID 19864889) has the molecular formula C6H15ClN2OS and a molecular weight of 198.72 g/mol. Its IUPAC name is ethanethioamide;morpholine;hydrochloride.

Molecular Properties

Compound Nameethanethioamide;morpholine;hydrochloride
PubChem CID19864889
Molecular FormulaC6H15ClN2OS
Molecular Weight198.72 g/mol
Exact Mass198.06
IUPAC Nameethanethioamide;morpholine;hydrochloride
SMILESC1COCCN1.CC(N)=S.Cl
InChIInChI=1S/C4H9NO.C2H5NS.ClH/c1-3-6-4-2-5-1;1-2(3)4;/h5H,1-4H2;1H3,(H2,3,4);1H
InChIKeyHFUJSHPWHASWFY-UHFFFAOYSA-N
XLogP0.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanethioamide;morpholine;hydrochloride 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 ethanethioamide;morpholine;hydrochloride?
The IUPAC name of ethanethioamide;morpholine;hydrochloride (CID 19864889) is ethanethioamide;morpholine;hydrochloride.
What is the SMILES notation for ethanethioamide;morpholine;hydrochloride?
The canonical SMILES for ethanethioamide;morpholine;hydrochloride is C1COCCN1.CC(N)=S.Cl.
What is the InChIKey of ethanethioamide;morpholine;hydrochloride?
The InChIKey is HFUJSHPWHASWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H5NS.ClH/c1-3-6-4-2-5-1;1-2(3)4;/h5H,1-4H2;1H3,(H2,3,4);1H.
What are the key properties of ethanethioamide;morpholine;hydrochloride?
ethanethioamide;morpholine;hydrochloride has a molecular weight of 198.72 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioamide;morpholine;hydrochloride is sourced from PubChem (CID 19864889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).