2-(6-cyclooctylhexyl)thiomorpholine

C18H35NS — CID 18958798

IUPAC2-(6-cyclooctylhexyl)thiomorpholine
SMILESC1CCCC(CCCCCCC2CNCCS2)CCC1
InChIInChI=1S/C18H35NS/c1-2-6-10-17(11-7-3-1)12-8-4-5-9-13-18-16-19-14-15-20-18/h17-19H,1-16H2
InChIKeyAXRLLEHWXSDFCE-UHFFFAOYSA-N
MW297.55 g/mol
LogP5.39
Rot. Bonds7

About 2-(6-cyclooctylhexyl)thiomorpholine

2-(6-cyclooctylhexyl)thiomorpholine (PubChem CID 18958798) has the molecular formula C18H35NS and a molecular weight of 297.55 g/mol. Its IUPAC name is 2-(6-cyclooctylhexyl)thiomorpholine.

Molecular Properties

Compound Name2-(6-cyclooctylhexyl)thiomorpholine
PubChem CID18958798
Molecular FormulaC18H35NS
Molecular Weight297.55 g/mol
Exact Mass297.25
IUPAC Name2-(6-cyclooctylhexyl)thiomorpholine
SMILESC1CCCC(CCCCCCC2CNCCS2)CCC1
InChIInChI=1S/C18H35NS/c1-2-6-10-17(11-7-3-1)12-8-4-5-9-13-18-16-19-14-15-20-18/h17-19H,1-16H2
InChIKeyAXRLLEHWXSDFCE-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclooctylthiomorpholine
CID 53710505
1-cyclooctyl-N-[[(3R)-4,5-dimethylthiomorpholin-3-yl]methyl]methanamine
CID 67755255
1-Thia-8-azaspiro[5.5]undecane
CID 118210513
2-Cyclopentylthiomorpholine
CID 121207498
2-Propan-2-yl-6-undecylthiomorpholine
CID 134220009
N-butyl-6-(1-tetradecylsulfanylnonadecan-10-yl)triacontan-1-amine
CID 134405301
N,3-diethyl-5-[2-(trimethyl-lambda4-sulfanyl)ethyl]nonan-1-amine
CID 137403907
3-(Thian-2-yl)piperidine
CID 141821074
N-(5-methylundecan-5-yl)thian-4-amine
CID 146436758
2-(2-Propylhexylsulfanyl)piperidine
CID 163417778
3-(Methylsulfanylmethyl)-4-pentylpiperidine
CID 164059009
N-propan-2-yl-1-[7-[[propan-2-yl(propyl)amino]methyl]thiocan-4-yl]-N-(thiomorpholin-2-ylmethyl)propan-1-amine
CID 167009174

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclooctylhexyl)thiomorpholine?
The IUPAC name of 2-(6-cyclooctylhexyl)thiomorpholine (CID 18958798) is 2-(6-cyclooctylhexyl)thiomorpholine.
What is the SMILES notation for 2-(6-cyclooctylhexyl)thiomorpholine?
The canonical SMILES for 2-(6-cyclooctylhexyl)thiomorpholine is C1CCCC(CCCCCCC2CNCCS2)CCC1.
What is the InChIKey of 2-(6-cyclooctylhexyl)thiomorpholine?
The InChIKey is AXRLLEHWXSDFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NS/c1-2-6-10-17(11-7-3-1)12-8-4-5-9-13-18-16-19-14-15-20-18/h17-19H,1-16H2.
What are the key properties of 2-(6-cyclooctylhexyl)thiomorpholine?
2-(6-cyclooctylhexyl)thiomorpholine has a molecular weight of 297.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclooctylhexyl)thiomorpholine is sourced from PubChem (CID 18958798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).