2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine

C11H23NOS — CID 79577369

IUPAC2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCOCCCSCCC1CCCC1N
InChIInChI=1S/C11H23NOS/c1-13-7-3-8-14-9-6-10-4-2-5-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyOLDQWCRIJMJTLS-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.27
Rot. Bonds7

About 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine

2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine (PubChem CID 79577369) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine
PubChem CID79577369
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine
SMILESCOCCCSCCC1CCCC1N
InChIInChI=1S/C11H23NOS/c1-13-7-3-8-14-9-6-10-4-2-5-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyOLDQWCRIJMJTLS-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.27
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-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine (CID 79577369) is 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine is COCCCSCCC1CCCC1N.
What is the InChIKey of 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine?
The InChIKey is OLDQWCRIJMJTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-13-7-3-8-14-9-6-10-4-2-5-11(10)12/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine?
2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropylsulfanyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79577369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).