1-methyl-3-methylsulfanylpyrrolidine;hydroiodide

C6H14INS — CID 67901455

IUPAC1-methyl-3-methylsulfanylpyrrolidine;hydroiodide
SMILESCSC1CCN(C)C1.I
InChIInChI=1S/C6H13NS.HI/c1-7-4-3-6(5-7)8-2;/h6H,3-5H2,1-2H3;1H
InChIKeyDMMGVMBXASQYQN-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.67
Rot. Bonds1

About 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide

1-methyl-3-methylsulfanylpyrrolidine;hydroiodide (PubChem CID 67901455) has the molecular formula C6H14INS and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylpyrrolidine;hydroiodide
PubChem CID67901455
Molecular FormulaC6H14INS
Molecular Weight259.16 g/mol
Exact Mass258.99
IUPAC Name1-methyl-3-methylsulfanylpyrrolidine;hydroiodide
SMILESCSC1CCN(C)C1.I
InChIInChI=1S/C6H13NS.HI/c1-7-4-3-6(5-7)8-2;/h6H,3-5H2,1-2H3;1H
InChIKeyDMMGVMBXASQYQN-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.67
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 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide?
The IUPAC name of 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide (CID 67901455) is 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide.
What is the SMILES notation for 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide?
The canonical SMILES for 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide is CSC1CCN(C)C1.I.
What is the InChIKey of 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide?
The InChIKey is DMMGVMBXASQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.HI/c1-7-4-3-6(5-7)8-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide?
1-methyl-3-methylsulfanylpyrrolidine;hydroiodide has a molecular weight of 259.16 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylpyrrolidine;hydroiodide is sourced from PubChem (CID 67901455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).