2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide

C13H20N2O3S — CID 104562371

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(OCCOCCOC)cccc1SC
InChIInChI=1S/C13H20N2O3S/c1-16-6-7-17-8-9-18-10-4-3-5-11(19-2)12(10)13(14)15/h3-5H,6-9H2,1-2H3,(H3,14,15)
InChIKeyFLSMXBPYCSRZOJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.73
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide

2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide (PubChem CID 104562371) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
PubChem CID104562371
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(OCCOCCOC)cccc1SC
InChIInChI=1S/C13H20N2O3S/c1-16-6-7-17-8-9-18-10-4-3-5-11(19-2)12(10)13(14)15/h3-5H,6-9H2,1-2H3,(H3,14,15)
InChIKeyFLSMXBPYCSRZOJ-UHFFFAOYSA-N
XLogP1.73
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopropylethoxy)-6-methylsulfanylbenzenecarboximidamide
CID 114157522
3-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 113426979
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
2-ethylsulfanyl-6-[3-(2-methoxyethoxy)propoxy]benzenecarbothioamide
CID 103402530
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
CID 116792841
2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114884393

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide (CID 104562371) is 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(OCCOCCOC)cccc1SC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is FLSMXBPYCSRZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-16-6-7-17-8-9-18-10-4-3-5-11(19-2)12(10)13(14)15/h3-5H,6-9H2,1-2H3,(H3,14,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide?
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 284.38 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 104562371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).