3-methyl-1-methylsulfanylpyrrolidine

C6H13NS — CID 129045452

IUPAC3-methyl-1-methylsulfanylpyrrolidine
SMILESCSN1CCC(C)C1
InChIInChI=1S/C6H13NS/c1-6-3-4-7(5-6)8-2/h6H,3-5H2,1-2H3
InChIKeyZBQWNJFNLRBOOF-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-1-methylsulfanylpyrrolidine

3-methyl-1-methylsulfanylpyrrolidine (PubChem CID 129045452) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-methyl-1-methylsulfanylpyrrolidine
PubChem CID129045452
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-methyl-1-methylsulfanylpyrrolidine
SMILESCSN1CCC(C)C1
InChIInChI=1S/C6H13NS/c1-6-3-4-7(5-6)8-2/h6H,3-5H2,1-2H3
InChIKeyZBQWNJFNLRBOOF-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanylpyrrolidine?
The IUPAC name of 3-methyl-1-methylsulfanylpyrrolidine (CID 129045452) is 3-methyl-1-methylsulfanylpyrrolidine.
What is the SMILES notation for 3-methyl-1-methylsulfanylpyrrolidine?
The canonical SMILES for 3-methyl-1-methylsulfanylpyrrolidine is CSN1CCC(C)C1.
What is the InChIKey of 3-methyl-1-methylsulfanylpyrrolidine?
The InChIKey is ZBQWNJFNLRBOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6-3-4-7(5-6)8-2/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-methylsulfanylpyrrolidine?
3-methyl-1-methylsulfanylpyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanylpyrrolidine is sourced from PubChem (CID 129045452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).