4-but-3-en-2-yl-2-ethylthiomorpholine

C10H19NS — CID 130944351

IUPAC4-but-3-en-2-yl-2-ethylthiomorpholine
SMILESC=CC(C)N1CCSC(CC)C1
InChIInChI=1S/C10H19NS/c1-4-9(3)11-6-7-12-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3
InChIKeyJLAZBMULMXDGLY-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds3

About 4-but-3-en-2-yl-2-ethylthiomorpholine

4-but-3-en-2-yl-2-ethylthiomorpholine (PubChem CID 130944351) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-but-3-en-2-yl-2-ethylthiomorpholine.

Molecular Properties

Compound Name4-but-3-en-2-yl-2-ethylthiomorpholine
PubChem CID130944351
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-but-3-en-2-yl-2-ethylthiomorpholine
SMILESC=CC(C)N1CCSC(CC)C1
InChIInChI=1S/C10H19NS/c1-4-9(3)11-6-7-12-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3
InChIKeyJLAZBMULMXDGLY-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-but-3-en-2-yl-2-ethylthiomorpholine 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 4-but-3-en-2-yl-2-ethylthiomorpholine?
The IUPAC name of 4-but-3-en-2-yl-2-ethylthiomorpholine (CID 130944351) is 4-but-3-en-2-yl-2-ethylthiomorpholine.
What is the SMILES notation for 4-but-3-en-2-yl-2-ethylthiomorpholine?
The canonical SMILES for 4-but-3-en-2-yl-2-ethylthiomorpholine is C=CC(C)N1CCSC(CC)C1.
What is the InChIKey of 4-but-3-en-2-yl-2-ethylthiomorpholine?
The InChIKey is JLAZBMULMXDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9(3)11-6-7-12-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 4-but-3-en-2-yl-2-ethylthiomorpholine?
4-but-3-en-2-yl-2-ethylthiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yl-2-ethylthiomorpholine is sourced from PubChem (CID 130944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).