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

C9H20N2OS — CID 106444552

IUPAC2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCCOCC(N)C1CSCCN1C
InChIInChI=1S/C9H20N2OS/c1-3-12-6-8(10)9-7-13-5-4-11(9)2/h8-9H,3-7,10H2,1-2H3
InChIKeyWOAVBCMHYOSADI-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds4

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

2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine (PubChem CID 106444552) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine
PubChem CID106444552
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine
SMILESCCOCC(N)C1CSCCN1C
InChIInChI=1S/C9H20N2OS/c1-3-12-6-8(10)9-7-13-5-4-11(9)2/h8-9H,3-7,10H2,1-2H3
InChIKeyWOAVBCMHYOSADI-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
The IUPAC name of 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine (CID 106444552) is 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine is CCOCC(N)C1CSCCN1C.
What is the InChIKey of 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
The InChIKey is WOAVBCMHYOSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-3-12-6-8(10)9-7-13-5-4-11(9)2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine?
2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-methylthiomorpholin-3-yl)ethanamine is sourced from PubChem (CID 106444552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).