4-(hexylsulfanylmethyl)morpholine

C11H23NOS — CID 141157858

IUPAC4-(hexylsulfanylmethyl)morpholine
SMILESCCCCCCSCN1CCOCC1
InChIInChI=1S/C11H23NOS/c1-2-3-4-5-10-14-11-12-6-8-13-9-7-12/h2-11H2,1H3
InChIKeyLICLJNPRAQRXRR-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.59
Rot. Bonds7

About 4-(hexylsulfanylmethyl)morpholine

4-(hexylsulfanylmethyl)morpholine (PubChem CID 141157858) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-(hexylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name4-(hexylsulfanylmethyl)morpholine
PubChem CID141157858
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-(hexylsulfanylmethyl)morpholine
SMILESCCCCCCSCN1CCOCC1
InChIInChI=1S/C11H23NOS/c1-2-3-4-5-10-14-11-12-6-8-13-9-7-12/h2-11H2,1H3
InChIKeyLICLJNPRAQRXRR-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentylsulfanylmorpholine
CID 134928902
4-hexylmorpholine
CID 3614751
4-(1-hexylsulfanylheptan-2-yloxymethyl)morpholine
CID 138857567
1-decylsulfanyldecane;hydrofluoride
CID 174965550
4-hexyl-1,4-oxazepane
CID 166849903
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
butane;4-butylmorpholine
CID 177152600
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyloctane
CID 15742910
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436

Frequently Asked Questions

What is the IUPAC name of 4-(hexylsulfanylmethyl)morpholine?
The IUPAC name of 4-(hexylsulfanylmethyl)morpholine (CID 141157858) is 4-(hexylsulfanylmethyl)morpholine.
What is the SMILES notation for 4-(hexylsulfanylmethyl)morpholine?
The canonical SMILES for 4-(hexylsulfanylmethyl)morpholine is CCCCCCSCN1CCOCC1.
What is the InChIKey of 4-(hexylsulfanylmethyl)morpholine?
The InChIKey is LICLJNPRAQRXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-4-5-10-14-11-12-6-8-13-9-7-12/h2-11H2,1H3.
What are the key properties of 4-(hexylsulfanylmethyl)morpholine?
4-(hexylsulfanylmethyl)morpholine has a molecular weight of 217.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylsulfanylmethyl)morpholine is sourced from PubChem (CID 141157858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).