3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine

C9H21NO2S — CID 66228363

IUPAC3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
SMILESCOCCOCCSC(C)CCN
InChIInChI=1S/C9H21NO2S/c1-9(3-4-10)13-8-7-12-6-5-11-2/h9H,3-8,10H2,1-2H3
InChIKeyFYEWKEIHPGOVKO-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.12
Rot. Bonds9

About 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine

3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine (PubChem CID 66228363) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
PubChem CID66228363
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
SMILESCOCCOCCSC(C)CCN
InChIInChI=1S/C9H21NO2S/c1-9(3-4-10)13-8-7-12-6-5-11-2/h9H,3-8,10H2,1-2H3
InChIKeyFYEWKEIHPGOVKO-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
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-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
CID 66219333
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
CID 104565085
3-(2-propan-2-yloxyethylsulfanyl)butan-1-amine
CID 66231410
3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]butan-1-amine
CID 112589768
2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine
CID 66219609
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66229989
2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol
CID 66217893
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
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 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine (CID 66228363) is 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine is COCCOCCSC(C)CCN.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine?
The InChIKey is FYEWKEIHPGOVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-9(3-4-10)13-8-7-12-6-5-11-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine?
3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine is sourced from PubChem (CID 66228363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).