2-(2-methoxyethylsulfanyl)cyclooctan-1-amine

C11H23NOS — CID 64610136

IUPAC2-(2-methoxyethylsulfanyl)cyclooctan-1-amine
SMILESCOCCSC1CCCCCCC1N
InChIInChI=1S/C11H23NOS/c1-13-8-9-14-11-7-5-3-2-4-6-10(11)12/h10-11H,2-9,12H2,1H3
InChIKeyNWMZUIQAVQGPGJ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.42
Rot. Bonds4

About 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine

2-(2-methoxyethylsulfanyl)cyclooctan-1-amine (PubChem CID 64610136) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)cyclooctan-1-amine
PubChem CID64610136
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-(2-methoxyethylsulfanyl)cyclooctan-1-amine
SMILESCOCCSC1CCCCCCC1N
InChIInChI=1S/C11H23NOS/c1-13-8-9-14-11-7-5-3-2-4-6-10(11)12/h10-11H,2-9,12H2,1H3
InChIKeyNWMZUIQAVQGPGJ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.42
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 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine (CID 64610136) is 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine is COCCSC1CCCCCCC1N.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine?
The InChIKey is NWMZUIQAVQGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-13-8-9-14-11-7-5-3-2-4-6-10(11)12/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine?
2-(2-methoxyethylsulfanyl)cyclooctan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)cyclooctan-1-amine is sourced from PubChem (CID 64610136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).