1-methyl-3-methylsulfanylpyrrolidine

C6H13NS — CID 67901456

IUPAC1-methyl-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(C)C1
InChIInChI=1S/C6H13NS/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3
InChIKeyKGIUXXPEKNKXNR-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.05
Rot. Bonds1

About 1-methyl-3-methylsulfanylpyrrolidine

1-methyl-3-methylsulfanylpyrrolidine (PubChem CID 67901456) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylpyrrolidine
PubChem CID67901456
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-methyl-3-methylsulfanylpyrrolidine
SMILESCSC1CCN(C)C1
InChIInChI=1S/C6H13NS/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3
InChIKeyKGIUXXPEKNKXNR-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylpyrrolidine?
The IUPAC name of 1-methyl-3-methylsulfanylpyrrolidine (CID 67901456) is 1-methyl-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-methyl-3-methylsulfanylpyrrolidine?
The canonical SMILES for 1-methyl-3-methylsulfanylpyrrolidine is CSC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-methylsulfanylpyrrolidine?
The InChIKey is KGIUXXPEKNKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-4-3-6(5-7)8-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanylpyrrolidine?
1-methyl-3-methylsulfanylpyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.05, 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 is sourced from PubChem (CID 67901456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).