2-methoxy-1-methyl-3-methylsulfanylpyrrolidine

C7H15NOS — CID 143379884

IUPAC2-methoxy-1-methyl-3-methylsulfanylpyrrolidine
SMILESCOC1C(SC)CCN1C
InChIInChI=1S/C7H15NOS/c1-8-5-4-6(10-3)7(8)9-2/h6-7H,4-5H2,1-3H3
InChIKeyLTLSLBQOPXQJBJ-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.03
Rot. Bonds2

About 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine

2-methoxy-1-methyl-3-methylsulfanylpyrrolidine (PubChem CID 143379884) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-methylsulfanylpyrrolidine
PubChem CID143379884
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-methoxy-1-methyl-3-methylsulfanylpyrrolidine
SMILESCOC1C(SC)CCN1C
InChIInChI=1S/C7H15NOS/c1-8-5-4-6(10-3)7(8)9-2/h6-7H,4-5H2,1-3H3
InChIKeyLTLSLBQOPXQJBJ-UHFFFAOYSA-N
XLogP1.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine?
The IUPAC name of 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine (CID 143379884) is 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine.
What is the SMILES notation for 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine?
The canonical SMILES for 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine is COC1C(SC)CCN1C.
What is the InChIKey of 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine?
The InChIKey is LTLSLBQOPXQJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-5-4-6(10-3)7(8)9-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine?
2-methoxy-1-methyl-3-methylsulfanylpyrrolidine has a molecular weight of 161.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-methylsulfanylpyrrolidine is sourced from PubChem (CID 143379884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).