2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine

C11H17NO3S — CID 117242945

IUPAC2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
SMILESCOc1cccc(C(CN)CS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-15-11-5-3-4-9(6-11)10(7-12)8-16(2,13)14/h3-6,10H,7-8,12H2,1-2H3
InChIKeyUYNRRIQIKXSVNU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.78
Rot. Bonds5

About 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine

2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine (PubChem CID 117242945) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
PubChem CID117242945
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
SMILESCOc1cccc(C(CN)CS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-15-11-5-3-4-9(6-11)10(7-12)8-16(2,13)14/h3-6,10H,7-8,12H2,1-2H3
InChIKeyUYNRRIQIKXSVNU-UHFFFAOYSA-N
XLogP0.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64699404
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-bromophenol
CID 83972592
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine (CID 117242945) is 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine is COc1cccc(C(CN)CS(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is UYNRRIQIKXSVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-15-11-5-3-4-9(6-11)10(7-12)8-16(2,13)14/h3-6,10H,7-8,12H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine?
2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 117242945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).