N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine

C10H15BrN2O2S — CID 115622483

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O2S/c1-13(5-6-16(2,14)15)8-10-4-3-9(11)7-12-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyQNCUCTXRJXVKSU-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.32
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine

N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine (PubChem CID 115622483) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
PubChem CID115622483
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O2S/c1-13(5-6-16(2,14)15)8-10-4-3-9(11)7-12-10/h3-4,7H,5-6,8H2,1-2H3
InChIKeyQNCUCTXRJXVKSU-UHFFFAOYSA-N
XLogP1.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204834
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
2-[(5-bromo-2-pyridinyl)methyl-methylamino]ethanethioamide
CID 104797290
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318
5-bromo-2-[2-(fluoromethylsulfonyl)ethyl]pyridine
CID 161296269
5-bromo-2-(3-methylsulfonylpropoxy)pyridine
CID 119086341
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906865

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine (CID 115622483) is N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine is CN(CCS(C)(=O)=O)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine?
The InChIKey is QNCUCTXRJXVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-13(5-6-16(2,14)15)8-10-4-3-9(11)7-12-10/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine?
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine has a molecular weight of 307.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 115622483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).