propyl N-ethylpyrrolidine-1-carboximidothioate

C10H20N2S — CID 3514430

IUPACpropyl N-ethylpyrrolidine-1-carboximidothioate
SMILESCCCS/C(=N\CC)N1CCCC1
InChIInChI=1S/C10H20N2S/c1-3-9-13-10(11-4-2)12-7-5-6-8-12/h3-9H2,1-2H3/b11-10-
InChIKeyGWQPHDXCXGSDNL-KHPPLWFESA-N
MW200.35 g/mol
LogP2.60
Rot. Bonds3

About propyl N-ethylpyrrolidine-1-carboximidothioate

propyl N-ethylpyrrolidine-1-carboximidothioate (PubChem CID 3514430) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is propyl N-ethylpyrrolidine-1-carboximidothioate.

Molecular Properties

Compound Namepropyl N-ethylpyrrolidine-1-carboximidothioate
PubChem CID3514430
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Namepropyl N-ethylpyrrolidine-1-carboximidothioate
SMILESCCCS/C(=N\CC)N1CCCC1
InChIInChI=1S/C10H20N2S/c1-3-9-13-10(11-4-2)12-7-5-6-8-12/h3-9H2,1-2H3/b11-10-
InChIKeyGWQPHDXCXGSDNL-KHPPLWFESA-N
XLogP2.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 propyl N-ethylpyrrolidine-1-carboximidothioate?
The IUPAC name of propyl N-ethylpyrrolidine-1-carboximidothioate (CID 3514430) is propyl N-ethylpyrrolidine-1-carboximidothioate.
What is the SMILES notation for propyl N-ethylpyrrolidine-1-carboximidothioate?
The canonical SMILES for propyl N-ethylpyrrolidine-1-carboximidothioate is CCCS/C(=N\CC)N1CCCC1.
What is the InChIKey of propyl N-ethylpyrrolidine-1-carboximidothioate?
The InChIKey is GWQPHDXCXGSDNL-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-9-13-10(11-4-2)12-7-5-6-8-12/h3-9H2,1-2H3/b11-10-.
What are the key properties of propyl N-ethylpyrrolidine-1-carboximidothioate?
propyl N-ethylpyrrolidine-1-carboximidothioate has a molecular weight of 200.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-ethylpyrrolidine-1-carboximidothioate is sourced from PubChem (CID 3514430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).