3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide

C12H18N2OS — CID 64537302

IUPAC3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CSCCOC)c1ccccc1
InChIInChI=1S/C12H18N2OS/c1-15-7-8-16-9-11(12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H3,13,14)
InChIKeyICPMJXPEZQMISG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.09
Rot. Bonds7

About 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide

3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide (PubChem CID 64537302) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
PubChem CID64537302
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CSCCOC)c1ccccc1
InChIInChI=1S/C12H18N2OS/c1-15-7-8-16-9-11(12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H3,13,14)
InChIKeyICPMJXPEZQMISG-UHFFFAOYSA-N
XLogP2.09
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methoxypropylsulfanyl)-2-phenylpropanimidamide
CID 64536706
3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103
2-(3-amino-3-imino-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114231759
3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanimidamide
CID 107770788
3-(cyclopentylmethylsulfanyl)-2-phenylpropanimidamide
CID 64535909
3-(2-methylfuran-3-yl)sulfanyl-2-phenylpropanimidamide
CID 107780467
3-(3-methoxypropylsulfanyl)-2-phenylpropanehydrazide
CID 64560373
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenylpropanimidamide
CID 64535906
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 64538702
1-(4-aminophenyl)-2-(2-methoxyethylsulfanyl)ethanol
CID 62264556
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide?
The IUPAC name of 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide (CID 64537302) is 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide is [H]/N=C(\N)C(CSCCOC)c1ccccc1.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide?
The InChIKey is ICPMJXPEZQMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-7-8-16-9-11(12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H3,13,14).
What are the key properties of 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide?
3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide has a molecular weight of 238.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)-2-phenylpropanimidamide is sourced from PubChem (CID 64537302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).