[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine

C12H25NO3S — CID 104568555

IUPAC[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
SMILESCOCCOCCOCCC1(CN)CCCS1
InChIInChI=1S/C12H25NO3S/c1-14-6-7-16-9-8-15-5-4-12(11-13)3-2-10-17-12/h2-11,13H2,1H3
InChIKeyHFVGTVQGNITKDC-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.28
Rot. Bonds10

About [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine

[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine (PubChem CID 104568555) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
PubChem CID104568555
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
SMILESCOCCOCCOCCC1(CN)CCCS1
InChIInChI=1S/C12H25NO3S/c1-14-6-7-16-9-8-15-5-4-12(11-13)3-2-10-17-12/h2-11,13H2,1H3
InChIKeyHFVGTVQGNITKDC-UHFFFAOYSA-N
XLogP1.28
TPSA53.71 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine
CID 103184863
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
(2-dodecylthiolan-2-yl)methanamine
CID 83174026
3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol
CID 130515149
[2-(2-tert-butylsulfonylethyl)thiolan-2-yl]methanamine
CID 106734087
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 103409591
[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 104566815
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine?
The IUPAC name of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine (CID 104568555) is [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine.
What is the SMILES notation for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine?
The canonical SMILES for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine is COCCOCCOCCC1(CN)CCCS1.
What is the InChIKey of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine?
The InChIKey is HFVGTVQGNITKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-14-6-7-16-9-8-15-5-4-12(11-13)3-2-10-17-12/h2-11,13H2,1H3.
What are the key properties of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine?
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine is sourced from PubChem (CID 104568555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).