N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine

C6H16N2OS — CID 166806848

IUPACN-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine
SMILESCCN(S)C(CNC)OC
InChIInChI=1S/C6H16N2OS/c1-4-8(10)6(9-3)5-7-2/h6-7,10H,4-5H2,1-3H3
InChIKeyOUCYCPPYQAUOGA-UHFFFAOYSA-N
MW164.27 g/mol
LogP0.34
Rot. Bonds5

About N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine

N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine (PubChem CID 166806848) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine
PubChem CID166806848
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC NameN-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine
SMILESCCN(S)C(CNC)OC
InChIInChI=1S/C6H16N2OS/c1-4-8(10)6(9-3)5-7-2/h6-7,10H,4-5H2,1-3H3
InChIKeyOUCYCPPYQAUOGA-UHFFFAOYSA-N
XLogP0.34
TPSA24.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Oxa-4,7,10-triazacyclododecane
CID 771596
1-(2-Methoxyethyl)piperazine
CID 2734638
Diethyl({2-[(2-methoxyethyl)amino]ethyl})amine
CID 23116495
(2-Aminoethyl)(2-methoxyethyl)methylamine
CID 23144321
N2-(2-Methoxyethyl)-N1,N1-dimethyl-1,2-ethanediamine
CID 23313977
[2-(2-Aminoethoxy)ethyl](ethyl)amine
CID 79480370
(2-Aminoethyl)(2-methoxyethyl)amine dihydrochloride
CID 86717903
N-(2-methoxyethyl)ethylenediamine
CID 18373882
1,8-Diamino-3-oxa-6-azaoctane
CID 19973832
N,N-bis(2-aminoethyl)-2-methoxyethylamine
CID 62924013
N'-(2-fluoroethyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80694901
N-(2-fluoroethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80695332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine?
The IUPAC name of N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine (CID 166806848) is N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine.
What is the SMILES notation for N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine?
The canonical SMILES for N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine is CCN(S)C(CNC)OC.
What is the InChIKey of N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine?
The InChIKey is OUCYCPPYQAUOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2OS/c1-4-8(10)6(9-3)5-7-2/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine?
N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine has a molecular weight of 164.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-methoxy-2-(methylamino)ethyl]thiohydroxylamine is sourced from PubChem (CID 166806848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).