1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine

C11H17NO2S — CID 62608341

IUPAC1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
SMILESCc1ccc(C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-9-3-5-10(6-4-9)11(12)7-8-15(2,13)14/h3-6,11H,7-8,12H2,1-2H3
InChIKeyZUBRSRDQSUJKBA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine

1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine (PubChem CID 62608341) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
PubChem CID62608341
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
SMILESCc1ccc(C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-9-3-5-10(6-4-9)11(12)7-8-15(2,13)14/h3-6,11H,7-8,12H2,1-2H3
InChIKeyZUBRSRDQSUJKBA-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfonyl)propan-1-amine
CID 64647000
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-(2-bromo-5-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848720
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
2-amino-N-[1-(4-methylphenyl)propyl]-4-methylsulfonylbutanamide
CID 43707473
1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 142700262
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64609842
1-(4-methylphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63658656
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-amine
CID 115848231

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine (CID 62608341) is 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine is Cc1ccc(C(N)CCS(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is ZUBRSRDQSUJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-3-5-10(6-4-9)11(12)7-8-15(2,13)14/h3-6,11H,7-8,12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine?
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62608341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).