2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine

C7H19NOS2 — CID 123907659

IUPAC2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine
SMILESCCNCCOS(C)(C)SC
InChIInChI=1S/C7H19NOS2/c1-5-8-6-7-9-11(3,4)10-2/h8H,5-7H2,1-4H3
InChIKeyGJILLAAFVMUYCG-UHFFFAOYSA-N
MW197.37 g/mol
LogP1.87
Rot. Bonds6

About 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine

2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine (PubChem CID 123907659) has the molecular formula C7H19NOS2 and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine
PubChem CID123907659
Molecular FormulaC7H19NOS2
Molecular Weight197.37 g/mol
Exact Mass197.09
IUPAC Name2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine
SMILESCCNCCOS(C)(C)SC
InChIInChI=1S/C7H19NOS2/c1-5-8-6-7-9-11(3,4)10-2/h8H,5-7H2,1-4H3
InChIKeyGJILLAAFVMUYCG-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethyl methanesulfonate
CID 89142204
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
CID 177329395
CID 177329395
2-(ethylamino)ethyl hypofluorite
CID 87274777
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
ethane;O-[2-(ethylamino)ethyl]hydroxylamine
CID 172573292
O-[2-[2-(ethylamino)ethylamino]ethyl]hydroxylamine
CID 118402818
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
2-[2-[2-(ethylamino)ethylamino]ethoxy]acetaldehyde
CID 156646019

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine?
The IUPAC name of 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine (CID 123907659) is 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine.
What is the SMILES notation for 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine?
The canonical SMILES for 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine is CCNCCOS(C)(C)SC.
What is the InChIKey of 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine?
The InChIKey is GJILLAAFVMUYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NOS2/c1-5-8-6-7-9-11(3,4)10-2/h8H,5-7H2,1-4H3.
What are the key properties of 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine?
2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine has a molecular weight of 197.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(methylsulfanyl)-λ4-sulfanyl]oxy-N-ethylethanamine is sourced from PubChem (CID 123907659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).