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

C6H14N2OS — CID 13171477

IUPACO-[2-(dimethylamino)ethyl] N-methylcarbamothioate
SMILESCNC(=S)OCCN(C)C
InChIInChI=1S/C6H14N2OS/c1-7-6(10)9-5-4-8(2)3/h4-5H2,1-3H3,(H,7,10)
InChIKeySSYKERWVUHKUMJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.07
Rot. Bonds3

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

O-[2-(dimethylamino)ethyl] N-methylcarbamothioate (PubChem CID 13171477) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is O-[2-(dimethylamino)ethyl] N-methylcarbamothioate.

Molecular Properties

Compound NameO-[2-(dimethylamino)ethyl] N-methylcarbamothioate
PubChem CID13171477
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameO-[2-(dimethylamino)ethyl] N-methylcarbamothioate
SMILESCNC(=S)OCCN(C)C
InChIInChI=1S/C6H14N2OS/c1-7-6(10)9-5-4-8(2)3/h4-5H2,1-3H3,(H,7,10)
InChIKeySSYKERWVUHKUMJ-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.07
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-methylcarbamothioate?
The IUPAC name of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate (CID 13171477) is O-[2-(dimethylamino)ethyl] N-methylcarbamothioate.
What is the SMILES notation for O-[2-(dimethylamino)ethyl] N-methylcarbamothioate?
The canonical SMILES for O-[2-(dimethylamino)ethyl] N-methylcarbamothioate is CNC(=S)OCCN(C)C.
What is the InChIKey of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate?
The InChIKey is SSYKERWVUHKUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-7-6(10)9-5-4-8(2)3/h4-5H2,1-3H3,(H,7,10).
What are the key properties of O-[2-(dimethylamino)ethyl] N-methylcarbamothioate?
O-[2-(dimethylamino)ethyl] N-methylcarbamothioate has a molecular weight of 162.26 g/mol, XLogP of 0.07, 3 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-methylcarbamothioate is sourced from PubChem (CID 13171477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).