O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate

C8H16N2O2S — CID 87439577

IUPACO-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
SMILESCN(C)C(=S)OCN1CCOCC1
InChIInChI=1S/C8H16N2O2S/c1-9(2)8(13)12-7-10-3-5-11-6-4-10/h3-7H2,1-2H3
InChIKeyGRLAKVDSAQJMNW-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.14
Rot. Bonds2

About O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate

O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate (PubChem CID 87439577) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameO-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
PubChem CID87439577
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameO-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate
SMILESCN(C)C(=S)OCN1CCOCC1
InChIInChI=1S/C8H16N2O2S/c1-9(2)8(13)12-7-10-3-5-11-6-4-10/h3-7H2,1-2H3
InChIKeyGRLAKVDSAQJMNW-UHFFFAOYSA-N
XLogP0.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate 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 O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
The IUPAC name of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate (CID 87439577) is O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate.
What is the SMILES notation for O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
The canonical SMILES for O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate is CN(C)C(=S)OCN1CCOCC1.
What is the InChIKey of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
The InChIKey is GRLAKVDSAQJMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-9(2)8(13)12-7-10-3-5-11-6-4-10/h3-7H2,1-2H3.
What are the key properties of O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate?
O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate has a molecular weight of 204.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(morpholin-4-ylmethyl) N,N-dimethylcarbamothioate is sourced from PubChem (CID 87439577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).