N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine

C9H20N2OS — CID 66420350

IUPACN-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
SMILESCOCCNCCC1CSCCN1
InChIInChI=1S/C9H20N2OS/c1-12-6-4-10-3-2-9-8-13-7-5-11-9/h9-11H,2-8H2,1H3
InChIKeyXFPRLEIXHREPFO-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.32
Rot. Bonds6

About N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine

N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine (PubChem CID 66420350) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
PubChem CID66420350
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
SMILESCOCCNCCC1CSCCN1
InChIInChI=1S/C9H20N2OS/c1-12-6-4-10-3-2-9-8-13-7-5-11-9/h9-11H,2-8H2,1H3
InChIKeyXFPRLEIXHREPFO-UHFFFAOYSA-N
XLogP0.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 103462147
N-(2-methoxyethyl)-N-(2-thiomorpholin-3-ylethyl)cyclopropanamine
CID 66422757
2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 106294061
N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66422368
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-thiomorpholin-3-ylacetamide
CID 119941360
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
CID 114547193
N-(3-hydroxy-4-methoxybutyl)-2-thiomorpholin-3-ylacetamide
CID 114163687

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine (CID 66420350) is N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine is COCCNCCC1CSCCN1.
What is the InChIKey of N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine?
The InChIKey is XFPRLEIXHREPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-12-6-4-10-3-2-9-8-13-7-5-11-9/h9-11H,2-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine?
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine has a molecular weight of 204.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 66420350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).