O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate

C11H16N2OS — CID 13171480

IUPACO-[2-(dimethylamino)ethyl] N-phenylcarbamothioate
SMILESCN(C)CCOC(=S)Nc1ccccc1
InChIInChI=1S/C11H16N2OS/c1-13(2)8-9-14-11(15)12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,15)
InChIKeyYVHAYOPUPWBBPU-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.96
Rot. Bonds4

About O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate

O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate (PubChem CID 13171480) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate.

Molecular Properties

Compound NameO-[2-(dimethylamino)ethyl] N-phenylcarbamothioate
PubChem CID13171480
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameO-[2-(dimethylamino)ethyl] N-phenylcarbamothioate
SMILESCN(C)CCOC(=S)Nc1ccccc1
InChIInChI=1S/C11H16N2OS/c1-13(2)8-9-14-11(15)12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,15)
InChIKeyYVHAYOPUPWBBPU-UHFFFAOYSA-N
XLogP1.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate?
The IUPAC name of O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate (CID 13171480) is O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate.
What is the SMILES notation for O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate?
The canonical SMILES for O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate is CN(C)CCOC(=S)Nc1ccccc1.
What is the InChIKey of O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate?
The InChIKey is YVHAYOPUPWBBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(2)8-9-14-11(15)12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,15).
What are the key properties of O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate?
O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate has a molecular weight of 224.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(dimethylamino)ethyl] N-phenylcarbamothioate is sourced from PubChem (CID 13171480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).