1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine

C11H17NO2S — CID 107508704

IUPAC1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CS(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-12-10(8-14-2)9-15(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyXFAXSFHSSPAPHW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.03
Rot. Bonds6

About 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine

1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 107508704) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
PubChem CID107508704
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CS(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-12-10(8-14-2)9-15(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyXFAXSFHSSPAPHW-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
1-[2-(Methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol
CID 2865053
Ethyl 2-[2-(benzenesulfonyl)ethylamino]acetate
CID 44377457
(2R)-N-[2-(benzenesulfonyl)ethyl]butan-2-amine
CID 76324872
(2S)-N-[2-(benzenesulfonyl)ethyl]butan-2-amine
CID 76332115
4-[1-(Phenylsulfonyl)propan-2-yl]morpholine
CID 2827602
3-[(4-Fluorophenyl)sulfonyl]-4-[(2-methoxyethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897865
2-(2-fluorophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 93895142
2-(2,5-difluorophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 94027341
2-(2,4-difluorophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 94027588
2-(3,4-difluorophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 94151193

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine (CID 107508704) is 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)CS(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is XFAXSFHSSPAPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12-10(8-14-2)9-15(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine?
1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107508704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).