4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine

C12H25NO3S — CID 113427227

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1CCOCCOCCOC
InChIInChI=1S/C12H25NO3S/c1-13-12-10-17-9-11(12)3-4-15-7-8-16-6-5-14-2/h11-13H,3-10H2,1-2H3
InChIKeyCYAPNVAVXUUXGX-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.01
Rot. Bonds10

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine (PubChem CID 113427227) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine
PubChem CID113427227
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1CCOCCOCCOC
InChIInChI=1S/C12H25NO3S/c1-13-12-10-17-9-11(12)3-4-15-7-8-16-6-5-14-2/h11-13H,3-10H2,1-2H3
InChIKeyCYAPNVAVXUUXGX-UHFFFAOYSA-N
XLogP1.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine (CID 113427227) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine is CNC1CSCC1CCOCCOCCOC.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine?
The InChIKey is CYAPNVAVXUUXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-13-12-10-17-9-11(12)3-4-15-7-8-16-6-5-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine has a molecular weight of 263.40 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 113427227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).