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

C10H21NO2S — CID 83196605

IUPAC4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1CCOCCOC
InChIInChI=1S/C10H21NO2S/c1-11-10-8-14-7-9(10)3-4-13-6-5-12-2/h9-11H,3-8H2,1-2H3
InChIKeyCMZTXBUWBBEKQA-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.99
Rot. Bonds7

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

4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine (PubChem CID 83196605) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine
PubChem CID83196605
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1CCOCCOC
InChIInChI=1S/C10H21NO2S/c1-11-10-8-14-7-9(10)3-4-13-6-5-12-2/h9-11H,3-8H2,1-2H3
InChIKeyCMZTXBUWBBEKQA-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine
CID 113427227
N-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]thiolan-3-amine
CID 83196931
N-methyl-4-(2-phenoxyethyl)thiolan-3-amine
CID 83196190
4-butyl-N-methylthiolan-3-amine
CID 83195974
4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
CID 103410771
2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine
CID 103181114
N-methyl-4-(2-propan-2-ylsulfonylethyl)thiolan-3-amine
CID 106727327
N-methyl-4-[2-(oxolan-2-yl)ethyl]thiolan-3-amine
CID 83196715
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 104560818
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine (CID 83196605) is 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine is CNC1CSCC1CCOCCOC.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine?
The InChIKey is CMZTXBUWBBEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-11-10-8-14-7-9(10)3-4-13-6-5-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine?
4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 83196605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).