4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine

C10H21NO2S — CID 103410771

IUPAC4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
SMILESCOCCOCCCC1CSCC1N
InChIInChI=1S/C10H21NO2S/c1-12-5-6-13-4-2-3-9-7-14-8-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyQIPQOBSVGTUBOO-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.12
Rot. Bonds7

About 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine

4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine (PubChem CID 103410771) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
PubChem CID103410771
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine
SMILESCOCCOCCCC1CSCC1N
InChIInChI=1S/C10H21NO2S/c1-12-5-6-13-4-2-3-9-7-14-8-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyQIPQOBSVGTUBOO-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 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 ≤ 51.12
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

2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
4-nonylthiolan-3-amine
CID 83196598
2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410732
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-methylthiolan-3-amine
CID 113427227
4-[2-(2-methoxyethoxy)ethyl]-N-methylthiolan-3-amine
CID 83196605
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 104560818
3-[3-(2-methoxyethoxy)propyl]-2-methylcyclopentan-1-ol
CID 103413817
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
2-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103415800

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine?
The IUPAC name of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine (CID 103410771) is 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine is COCCOCCCC1CSCC1N.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine?
The InChIKey is QIPQOBSVGTUBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-12-5-6-13-4-2-3-9-7-14-8-10(9)11/h9-10H,2-8,11H2,1H3.
What are the key properties of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine?
4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propyl]thiolan-3-amine is sourced from PubChem (CID 103410771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).