N-ethyl-2-thiomorpholin-4-ylethanamine

C8H18N2S — CID 61386590

IUPACN-ethyl-2-thiomorpholin-4-ylethanamine
SMILESCCNCCN1CCSCC1
InChIInChI=1S/C8H18N2S/c1-2-9-3-4-10-5-7-11-8-6-10/h9H,2-8H2,1H3
InChIKeyGFCHWOBETPNJBM-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds4

About N-ethyl-2-thiomorpholin-4-ylethanamine

N-ethyl-2-thiomorpholin-4-ylethanamine (PubChem CID 61386590) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-ethyl-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-thiomorpholin-4-ylethanamine
PubChem CID61386590
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-ethyl-2-thiomorpholin-4-ylethanamine
SMILESCCNCCN1CCSCC1
InChIInChI=1S/C8H18N2S/c1-2-9-3-4-10-5-7-11-8-6-10/h9H,2-8H2,1H3
InChIKeyGFCHWOBETPNJBM-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-ethyl-2-thiomorpholin-4-ylethanamine (CID 61386590) is N-ethyl-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-ethyl-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-ethyl-2-thiomorpholin-4-ylethanamine is CCNCCN1CCSCC1.
What is the InChIKey of N-ethyl-2-thiomorpholin-4-ylethanamine?
The InChIKey is GFCHWOBETPNJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-2-9-3-4-10-5-7-11-8-6-10/h9H,2-8H2,1H3.
What are the key properties of N-ethyl-2-thiomorpholin-4-ylethanamine?
N-ethyl-2-thiomorpholin-4-ylethanamine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 61386590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).