4-hexylthiomorpholine

C10H21NS — CID 11424017

IUPAC4-hexylthiomorpholine
SMILESCCCCCCN1CCSCC1
InChIInChI=1S/C10H21NS/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-10H2,1H3
InChIKeyYEQQTKZGAYOSGG-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.62
Rot. Bonds5

About 4-hexylthiomorpholine

4-hexylthiomorpholine (PubChem CID 11424017) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-hexylthiomorpholine.

Molecular Properties

Compound Name4-hexylthiomorpholine
PubChem CID11424017
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-hexylthiomorpholine
SMILESCCCCCCN1CCSCC1
InChIInChI=1S/C10H21NS/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-10H2,1H3
InChIKeyYEQQTKZGAYOSGG-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-hexylthiomorpholine?
The IUPAC name of 4-hexylthiomorpholine (CID 11424017) is 4-hexylthiomorpholine.
What is the SMILES notation for 4-hexylthiomorpholine?
The canonical SMILES for 4-hexylthiomorpholine is CCCCCCN1CCSCC1.
What is the InChIKey of 4-hexylthiomorpholine?
The InChIKey is YEQQTKZGAYOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-3-4-5-6-11-7-9-12-10-8-11/h2-10H2,1H3.
What are the key properties of 4-hexylthiomorpholine?
4-hexylthiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylthiomorpholine is sourced from PubChem (CID 11424017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).