2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine

C12H24N2S — CID 102776044

IUPAC2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine
SMILESCC1CN(CC2NCCC2C)CC(C)S1
InChIInChI=1S/C12H24N2S/c1-9-4-5-13-12(9)8-14-6-10(2)15-11(3)7-14/h9-13H,4-8H2,1-3H3
InChIKeyJFPCHJZEZIHAFG-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds2

About 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine

2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine (PubChem CID 102776044) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine
PubChem CID102776044
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine
SMILESCC1CN(CC2NCCC2C)CC(C)S1
InChIInChI=1S/C12H24N2S/c1-9-4-5-13-12(9)8-14-6-10(2)15-11(3)7-14/h9-13H,4-8H2,1-3H3
InChIKeyJFPCHJZEZIHAFG-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine?
The IUPAC name of 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine (CID 102776044) is 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine is CC1CN(CC2NCCC2C)CC(C)S1.
What is the InChIKey of 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine?
The InChIKey is JFPCHJZEZIHAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-9-4-5-13-12(9)8-14-6-10(2)15-11(3)7-14/h9-13H,4-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine?
2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 102776044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).