ethanol;4-hexylthiomorpholine

C12H27NOS — CID 144711989

IUPACethanol;4-hexylthiomorpholine
SMILESCCCCCCN1CCSCC1.CCO
InChIInChI=1S/C10H21NS.C2H6O/c1-2-3-4-5-6-11-7-9-12-10-8-11;1-2-3/h2-10H2,1H3;3H,2H2,1H3
InChIKeyJEWMTZLHQZQGOU-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.61
Rot. Bonds5

About ethanol;4-hexylthiomorpholine

ethanol;4-hexylthiomorpholine (PubChem CID 144711989) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is ethanol;4-hexylthiomorpholine.

Molecular Properties

Compound Nameethanol;4-hexylthiomorpholine
PubChem CID144711989
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Nameethanol;4-hexylthiomorpholine
SMILESCCCCCCN1CCSCC1.CCO
InChIInChI=1S/C10H21NS.C2H6O/c1-2-3-4-5-6-11-7-9-12-10-8-11;1-2-3/h2-10H2,1H3;3H,2H2,1H3
InChIKeyJEWMTZLHQZQGOU-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanol;4-hexylthiomorpholine 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 ethanol;4-hexylthiomorpholine?
The IUPAC name of ethanol;4-hexylthiomorpholine (CID 144711989) is ethanol;4-hexylthiomorpholine.
What is the SMILES notation for ethanol;4-hexylthiomorpholine?
The canonical SMILES for ethanol;4-hexylthiomorpholine is CCCCCCN1CCSCC1.CCO.
What is the InChIKey of ethanol;4-hexylthiomorpholine?
The InChIKey is JEWMTZLHQZQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.C2H6O/c1-2-3-4-5-6-11-7-9-12-10-8-11;1-2-3/h2-10H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;4-hexylthiomorpholine?
ethanol;4-hexylthiomorpholine has a molecular weight of 233.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-hexylthiomorpholine is sourced from PubChem (CID 144711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).