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

C10H22N2OS — CID 106444427

IUPAC1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1CSCCN1C
InChIInChI=1S/C10H22N2OS/c1-8(2)13-6-9(11)10-7-14-5-4-12(10)3/h8-10H,4-7,11H2,1-3H3
InChIKeyJIAJYGFFWPUYBM-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.79
Rot. Bonds4

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

1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine (PubChem CID 106444427) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
PubChem CID106444427
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)C1CSCCN1C
InChIInChI=1S/C10H22N2OS/c1-8(2)13-6-9(11)10-7-14-5-4-12(10)3/h8-10H,4-7,11H2,1-3H3
InChIKeyJIAJYGFFWPUYBM-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine 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 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine (CID 106444427) is 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine is CC(C)OCC(N)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
The InChIKey is JIAJYGFFWPUYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(2)13-6-9(11)10-7-14-5-4-12(10)3/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine?
1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine has a molecular weight of 218.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 106444427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).