ethanol;4-pentylthiomorpholine

C11H25NOS — CID 144712000

IUPACethanol;4-pentylthiomorpholine
SMILESCCCCCN1CCSCC1.CCO
InChIInChI=1S/C9H19NS.C2H6O/c1-2-3-4-5-10-6-8-11-9-7-10;1-2-3/h2-9H2,1H3;3H,2H2,1H3
InChIKeyUCGJBJXKYQIFHY-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.22
Rot. Bonds4

About ethanol;4-pentylthiomorpholine

ethanol;4-pentylthiomorpholine (PubChem CID 144712000) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is ethanol;4-pentylthiomorpholine.

Molecular Properties

Compound Nameethanol;4-pentylthiomorpholine
PubChem CID144712000
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Nameethanol;4-pentylthiomorpholine
SMILESCCCCCN1CCSCC1.CCO
InChIInChI=1S/C9H19NS.C2H6O/c1-2-3-4-5-10-6-8-11-9-7-10;1-2-3/h2-9H2,1H3;3H,2H2,1H3
InChIKeyUCGJBJXKYQIFHY-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.22
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 ethanol;4-pentylthiomorpholine?
The IUPAC name of ethanol;4-pentylthiomorpholine (CID 144712000) is ethanol;4-pentylthiomorpholine.
What is the SMILES notation for ethanol;4-pentylthiomorpholine?
The canonical SMILES for ethanol;4-pentylthiomorpholine is CCCCCN1CCSCC1.CCO.
What is the InChIKey of ethanol;4-pentylthiomorpholine?
The InChIKey is UCGJBJXKYQIFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6O/c1-2-3-4-5-10-6-8-11-9-7-10;1-2-3/h2-9H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;4-pentylthiomorpholine?
ethanol;4-pentylthiomorpholine has a molecular weight of 219.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-pentylthiomorpholine is sourced from PubChem (CID 144712000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).