2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine

C11H22N2S2 — CID 82760826

IUPAC2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
SMILESCSC1CNCC1N1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2S2/c1-8-6-13(7-9(2)15-8)10-4-12-5-11(10)14-3/h8-12H,4-7H2,1-3H3
InChIKeyZITDIXHNHGOICU-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.52
Rot. Bonds2

About 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine

2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine (PubChem CID 82760826) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
PubChem CID82760826
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Name2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
SMILESCSC1CNCC1N1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2S2/c1-8-6-13(7-9(2)15-8)10-4-12-5-11(10)14-3/h8-12H,4-7H2,1-3H3
InChIKeyZITDIXHNHGOICU-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
The IUPAC name of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine (CID 82760826) is 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine is CSC1CNCC1N1CC(C)SC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
The InChIKey is ZITDIXHNHGOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-8-6-13(7-9(2)15-8)10-4-12-5-11(10)14-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine has a molecular weight of 246.44 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine is sourced from PubChem (CID 82760826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).