2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine

C9H20N2OS — CID 79171551

IUPAC2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
SMILESCCN1CCOC(CSCCN)C1
InChIInChI=1S/C9H20N2OS/c1-2-11-4-5-12-9(7-11)8-13-6-3-10/h9H,2-8,10H2,1H3
InChIKeySJYOYZQIIYQUJN-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.40
Rot. Bonds5

About 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine

2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine (PubChem CID 79171551) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
PubChem CID79171551
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine
SMILESCCN1CCOC(CSCCN)C1
InChIInChI=1S/C9H20N2OS/c1-2-11-4-5-12-9(7-11)8-13-6-3-10/h9H,2-8,10H2,1H3
InChIKeySJYOYZQIIYQUJN-UHFFFAOYSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

Analyze 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-ethylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 79172249
2,4-diethylmorpholine
CID 58988021
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
4-ethyl-2-propylmorpholine
CID 127673597
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
[5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 79172247
2-[(4-ethylmorpholin-2-yl)methylsulfinyl]propan-1-amine
CID 81187355
N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine (CID 79171551) is 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine is CCN1CCOC(CSCCN)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine?
The InChIKey is SJYOYZQIIYQUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-2-11-4-5-12-9(7-11)8-13-6-3-10/h9H,2-8,10H2,1H3.
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine?
2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine has a molecular weight of 204.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylsulfanyl]ethanamine is sourced from PubChem (CID 79171551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).