1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine

C12H19NO2S — CID 107508710

IUPAC1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
SMILESCNC(COC)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-10-4-6-12(7-5-10)16(14)9-11(13-2)8-15-3/h4-7,11,13H,8-9H2,1-3H3
InChIKeyHFPBPYKFDPWWTI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.34
Rot. Bonds6

About 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine

1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine (PubChem CID 107508710) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
PubChem CID107508710
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine
SMILESCNC(COC)CS(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO2S/c1-10-4-6-12(7-5-10)16(14)9-11(13-2)8-15-3/h4-7,11,13H,8-9H2,1-3H3
InChIKeyHFPBPYKFDPWWTI-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfinyl)-3-methoxy-N-methylpropan-2-amine
CID 107508704
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508721
methyl (5R)-5-hydroxy-6-(4-methylphenyl)sulfinyl-3-oxohexanoate
CID 100993061
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 107505630
N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185109
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]but-3-en-2-amine;hydrochloride
CID 44633422
methyl (5S)-5-hydroxy-6-(4-methylphenyl)sulfinylhexanoate
CID 141448734
3-(methylamino)-4-(4-propan-2-ylphenyl)sulfinylbutan-1-ol
CID 64900376

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine (CID 107508710) is 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine is CNC(COC)CS(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine?
The InChIKey is HFPBPYKFDPWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10-4-6-12(7-5-10)16(14)9-11(13-2)8-15-3/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine?
1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(4-methylphenyl)sulfinylpropan-2-amine is sourced from PubChem (CID 107508710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).