3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide

C11H16N2O2S — CID 103567791

IUPAC3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCSC)c1
InChIInChI=1S/C11H16N2O2S/c1-14-9-5-8(11(12)13)6-10(7-9)15-3-4-16-2/h5-7H,3-4H2,1-2H3,(H3,12,13)
InChIKeyPFHUPRCQSOOVOZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.72
Rot. Bonds6

About 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide

3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide (PubChem CID 103567791) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
PubChem CID103567791
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCSC)c1
InChIInChI=1S/C11H16N2O2S/c1-14-9-5-8(11(12)13)6-10(7-9)15-3-4-16-2/h5-7H,3-4H2,1-2H3,(H3,12,13)
InChIKeyPFHUPRCQSOOVOZ-UHFFFAOYSA-N
XLogP1.72
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631
3-[(4-iodophenyl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567720
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
3-(2-ethylsulfanylethoxy)-5-methoxybenzenecarbothioamide
CID 103567341

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide?
The IUPAC name of 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide (CID 103567791) is 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCCSC)c1.
What is the InChIKey of 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide?
The InChIKey is PFHUPRCQSOOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-14-9-5-8(11(12)13)6-10(7-9)15-3-4-16-2/h5-7H,3-4H2,1-2H3,(H3,12,13).
What are the key properties of 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide?
3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide has a molecular weight of 240.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide is sourced from PubChem (CID 103567791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).