O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate

C11H15NO2S — CID 19832441

IUPACO-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate
SMILESCCOc1ccc(N(C)C(=S)OC)cc1
InChIInChI=1S/C11H15NO2S/c1-4-14-10-7-5-9(6-8-10)12(2)11(15)13-3/h5-8H,4H2,1-3H3
InChIKeyPKIZPVYPKSXUAN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.45
Rot. Bonds3

About O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate

O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate (PubChem CID 19832441) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate.

Molecular Properties

Compound NameO-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate
PubChem CID19832441
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameO-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate
SMILESCCOc1ccc(N(C)C(=S)OC)cc1
InChIInChI=1S/C11H15NO2S/c1-4-14-10-7-5-9(6-8-10)12(2)11(15)13-3/h5-8H,4H2,1-3H3
InChIKeyPKIZPVYPKSXUAN-UHFFFAOYSA-N
XLogP2.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
4-ethoxy-N,N-dimethylaniline
CID 3624890
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
N-(4-ethoxyphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165646
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
2-bromo-N-(4-ethoxyphenyl)-N-methyl-3-oxopropanamide
CID 19966500
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
CID 14665
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804

Frequently Asked Questions

What is the IUPAC name of O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate?
The IUPAC name of O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate (CID 19832441) is O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate.
What is the SMILES notation for O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate?
The canonical SMILES for O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate is CCOc1ccc(N(C)C(=S)OC)cc1.
What is the InChIKey of O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate?
The InChIKey is PKIZPVYPKSXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-14-10-7-5-9(6-8-10)12(2)11(15)13-3/h5-8H,4H2,1-3H3.
What are the key properties of O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate?
O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate has a molecular weight of 225.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-(4-ethoxyphenyl)-N-methylcarbamothioate is sourced from PubChem (CID 19832441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).