2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine

C6H15NO2S2 — CID 118329939

IUPAC2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine
SMILESCSOCCNCCOSC
InChIInChI=1S/C6H15NO2S2/c1-10-8-5-3-7-4-6-9-11-2/h7H,3-6H2,1-2H3
InChIKeyVZAMSUFEYUGHAV-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.17
Rot. Bonds8

About 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine

2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine (PubChem CID 118329939) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine
PubChem CID118329939
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine
SMILESCSOCCNCCOSC
InChIInChI=1S/C6H15NO2S2/c1-10-8-5-3-7-4-6-9-11-2/h7H,3-6H2,1-2H3
InChIKeyVZAMSUFEYUGHAV-UHFFFAOYSA-N
XLogP1.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-methylsulfanyloxyethyl)hexan-1-amine
CID 177359477
ethane;N-[2-(2-ethoxyethoxy)ethyl]-6-methylsulfanyloxyhexan-1-amine
CID 177359498
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
N-ethenyl-2-(4-methylsulfanyloxybutoxy)ethanamine
CID 170083007
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine?
The IUPAC name of 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine (CID 118329939) is 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine?
The canonical SMILES for 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine is CSOCCNCCOSC.
What is the InChIKey of 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine?
The InChIKey is VZAMSUFEYUGHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-10-8-5-3-7-4-6-9-11-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine?
2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxy-N-(2-methylsulfanyloxyethyl)ethanamine is sourced from PubChem (CID 118329939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).