1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine

C12H18BrNO2S2 — CID 55246419

IUPAC1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
SMILESCC(N)C(SCCS(C)(=O)=O)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2S2/c1-9(14)12(17-7-8-18(2,15)16)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8,14H2,1-2H3
InChIKeyFJIZASAYWMIBMI-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine

1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine (PubChem CID 55246419) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
PubChem CID55246419
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC Name1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
SMILESCC(N)C(SCCS(C)(=O)=O)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2S2/c1-9(14)12(17-7-8-18(2,15)16)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8,14H2,1-2H3
InChIKeyFJIZASAYWMIBMI-UHFFFAOYSA-N
XLogP2.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)butan-2-amine
CID 63658849
1-(2-methoxyphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63660617
1-(3-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 55246981
1-(4-methylphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63658656
1-(4-chlorophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63659724
2-amino-1-(2-bromophenyl)propane-1-sulfonic acid
CID 141352455
1-(2-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-amine
CID 66143092
1-bromo-2-(1-chloro-4-methylsulfonylbutan-2-yl)benzene
CID 79454715
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 63538069
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine (CID 55246419) is 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine is CC(N)C(SCCS(C)(=O)=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine?
The InChIKey is FJIZASAYWMIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c1-9(14)12(17-7-8-18(2,15)16)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8,14H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine?
1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine has a molecular weight of 352.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine is sourced from PubChem (CID 55246419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).