N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine

C11H24N2OS — CID 106444766

IUPACN-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)C1CSCCN1C
InChIInChI=1S/C11H24N2OS/c1-9(2)14-7-10(12-3)11-8-15-6-5-13(11)4/h9-12H,5-8H2,1-4H3
InChIKeyIBZXGKYVOMQTSY-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine

N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine (PubChem CID 106444766) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
PubChem CID106444766
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)C1CSCCN1C
InChIInChI=1S/C11H24N2OS/c1-9(2)14-7-10(12-3)11-8-15-6-5-13(11)4/h9-12H,5-8H2,1-4H3
InChIKeyIBZXGKYVOMQTSY-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine (CID 106444766) is N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine is CNC(COC(C)C)C1CSCCN1C.
What is the InChIKey of N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The InChIKey is IBZXGKYVOMQTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(2)14-7-10(12-3)11-8-15-6-5-13(11)4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine has a molecular weight of 232.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 106444766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).