2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine

C8H18N2OS — CID 106444401

IUPAC2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCOCC(N)C1CSCCN1C
InChIInChI=1S/C8H18N2OS/c1-10-3-4-12-6-8(10)7(9)5-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyCYEXDIINCCCUPE-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.01
Rot. Bonds3

About 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine

2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444401) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444401
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCOCC(N)C1CSCCN1C
InChIInChI=1S/C8H18N2OS/c1-10-3-4-12-6-8(10)7(9)5-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyCYEXDIINCCCUPE-UHFFFAOYSA-N
XLogP0.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444401) is 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine is COCC(N)C1CSCCN1C.
What is the InChIKey of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is CYEXDIINCCCUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-10-3-4-12-6-8(10)7(9)5-11-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 190.31 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).