2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate

C8H19N3S — CID 3063091

IUPAC2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate
SMILESC/N=C(\SCCN(C)C)N(C)C
InChIInChI=1S/C8H19N3S/c1-9-8(11(4)5)12-7-6-10(2)3/h6-7H2,1-5H3/b9-8-
InChIKeyFHIHOLLJYSXYKK-HJWRWDBZSA-N
MW189.33 g/mol
LogP0.83
Rot. Bonds3

About 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate

2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate (PubChem CID 3063091) has the molecular formula C8H19N3S and a molecular weight of 189.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate
PubChem CID3063091
Molecular FormulaC8H19N3S
Molecular Weight189.33 g/mol
Exact Mass189.13
IUPAC Name2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate
SMILESC/N=C(\SCCN(C)C)N(C)C
InChIInChI=1S/C8H19N3S/c1-9-8(11(4)5)12-7-6-10(2)3/h6-7H2,1-5H3/b9-8-
InChIKeyFHIHOLLJYSXYKK-HJWRWDBZSA-N
XLogP0.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate?
The IUPAC name of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate (CID 3063091) is 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate.
What is the SMILES notation for 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate?
The canonical SMILES for 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate is C/N=C(\SCCN(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate?
The InChIKey is FHIHOLLJYSXYKK-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H19N3S/c1-9-8(11(4)5)12-7-6-10(2)3/h6-7H2,1-5H3/b9-8-.
What are the key properties of 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate?
2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate has a molecular weight of 189.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate is sourced from PubChem (CID 3063091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).