3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine

C11H17NO2S — CID 64659138

IUPAC3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
SMILESCNCCCS(=O)c1cccc(OC)c1
InChIInChI=1S/C11H17NO2S/c1-12-7-4-8-15(13)11-6-3-5-10(9-11)14-2/h3,5-6,9,12H,4,7-8H2,1-2H3
InChIKeyAJJUJFXPMZECLV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.41
Rot. Bonds6

About 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine

3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine (PubChem CID 64659138) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
PubChem CID64659138
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
SMILESCNCCCS(=O)c1cccc(OC)c1
InChIInChI=1S/C11H17NO2S/c1-12-7-4-8-15(13)11-6-3-5-10(9-11)14-2/h3,5-6,9,12H,4,7-8H2,1-2H3
InChIKeyAJJUJFXPMZECLV-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-2-amine
CID 64659145
N-[3-(3-methoxyphenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64659343
3-(3-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64657406
4-(3-methoxyphenyl)sulfinylbutanoic acid
CID 61304341
5-(3-methoxyphenyl)sulfinylpentanenitrile
CID 63791056
N-[2-(3-methoxyphenyl)sulfinylethyl]cyclopropanamine
CID 64659518
6-(3-methoxyphenyl)sulfinylhexan-3-amine
CID 106807932
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
CID 61302237
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
3-(4-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64652409
2-(3-methoxyphenyl)sulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64659524
1-(cyclopentylmethylsulfinyl)-3-methoxybenzene
CID 75515923

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine (CID 64659138) is 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine is CNCCCS(=O)c1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine?
The InChIKey is AJJUJFXPMZECLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12-7-4-8-15(13)11-6-3-5-10(9-11)14-2/h3,5-6,9,12H,4,7-8H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine?
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine is sourced from PubChem (CID 64659138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).