3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide

C7H16INS — CID 67901879

IUPAC3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide
SMILESCCSC1CCN(C)C1.I
InChIInChI=1S/C7H15NS.HI/c1-3-9-7-4-5-8(2)6-7;/h7H,3-6H2,1-2H3;1H
InChIKeyHLHANZXQJHJJLZ-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.06
Rot. Bonds2

About 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide

3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide (PubChem CID 67901879) has the molecular formula C7H16INS and a molecular weight of 273.18 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide.

Molecular Properties

Compound Name3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide
PubChem CID67901879
Molecular FormulaC7H16INS
Molecular Weight273.18 g/mol
Exact Mass273.00
IUPAC Name3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide
SMILESCCSC1CCN(C)C1.I
InChIInChI=1S/C7H15NS.HI/c1-3-9-7-4-5-8(2)6-7;/h7H,3-6H2,1-2H3;1H
InChIKeyHLHANZXQJHJJLZ-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide?
The IUPAC name of 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide (CID 67901879) is 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide.
What is the SMILES notation for 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide?
The canonical SMILES for 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide is CCSC1CCN(C)C1.I.
What is the InChIKey of 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide?
The InChIKey is HLHANZXQJHJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.HI/c1-3-9-7-4-5-8(2)6-7;/h7H,3-6H2,1-2H3;1H.
What are the key properties of 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide?
3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide has a molecular weight of 273.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-methylpyrrolidine;hydroiodide is sourced from PubChem (CID 67901879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).