1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine

C11H17NO3S — CID 107508732

IUPAC1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
SMILESCOCC(N)CS(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-14-7-9(12)8-16(13)11-5-3-10(15-2)4-6-11/h3-6,9H,7-8,12H2,1-2H3
InChIKeyRGPACIQLYBVALQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.78
Rot. Bonds6

About 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine

1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine (PubChem CID 107508732) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
PubChem CID107508732
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
SMILESCOCC(N)CS(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-14-7-9(12)8-16(13)11-5-3-10(15-2)4-6-11/h3-6,9H,7-8,12H2,1-2H3
InChIKeyRGPACIQLYBVALQ-UHFFFAOYSA-N
XLogP0.78
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
CID 107508854
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504483
1-cyclopropyl-2-(4-methoxyphenyl)sulfinyl-N-methylethanamine
CID 64657569
N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
2-benzyl-N-hydroxy-3-(4-methoxyphenyl)sulfinylpropanamide
CID 21224383
2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 115477299
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
(5R)-5-hydroxy-1-(4-methoxyphenyl)-6-[(R)-(4-methylphenyl)sulfinyl]hexan-1-one
CID 11473884

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine (CID 107508732) is 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine is COCC(N)CS(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine?
The InChIKey is RGPACIQLYBVALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-14-7-9(12)8-16(13)11-5-3-10(15-2)4-6-11/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine?
1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine is sourced from PubChem (CID 107508732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).