N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine

C11H15Br2NO2S — CID 115693206

IUPACN-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2NO2S/c1-8(7-17(2,15)16)14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRZBJZZVSODLAKM-UHFFFAOYSA-N
MW385.12 g/mol
LogP2.73
Rot. Bonds5

About N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine

N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 115693206) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID115693206
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2NO2S/c1-8(7-17(2,15)16)14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRZBJZZVSODLAKM-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine (CID 115693206) is N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1ccc(Br)c(Br)c1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is RZBJZZVSODLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-8(7-17(2,15)16)14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 385.12 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 115693206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).