4-(5-methylhexyl)thiomorpholine

C11H23NS — CID 59001008

IUPAC4-(5-methylhexyl)thiomorpholine
SMILESCC(C)CCCCN1CCSCC1
InChIInChI=1S/C11H23NS/c1-11(2)5-3-4-6-12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyYGQAAQHJOMJZNZ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds5

About 4-(5-methylhexyl)thiomorpholine

4-(5-methylhexyl)thiomorpholine (PubChem CID 59001008) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-(5-methylhexyl)thiomorpholine.

Molecular Properties

Compound Name4-(5-methylhexyl)thiomorpholine
PubChem CID59001008
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-(5-methylhexyl)thiomorpholine
SMILESCC(C)CCCCN1CCSCC1
InChIInChI=1S/C11H23NS/c1-11(2)5-3-4-6-12-7-9-13-10-8-12/h11H,3-10H2,1-2H3
InChIKeyYGQAAQHJOMJZNZ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
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-(5-methylhexyl)thiomorpholine?
The IUPAC name of 4-(5-methylhexyl)thiomorpholine (CID 59001008) is 4-(5-methylhexyl)thiomorpholine.
What is the SMILES notation for 4-(5-methylhexyl)thiomorpholine?
The canonical SMILES for 4-(5-methylhexyl)thiomorpholine is CC(C)CCCCN1CCSCC1.
What is the InChIKey of 4-(5-methylhexyl)thiomorpholine?
The InChIKey is YGQAAQHJOMJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2)5-3-4-6-12-7-9-13-10-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-(5-methylhexyl)thiomorpholine?
4-(5-methylhexyl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhexyl)thiomorpholine is sourced from PubChem (CID 59001008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).