1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine

C8H11BrN2O2S — CID 130060487

IUPAC1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O2S/c1-14(12,13)5-8(10)6-2-7(9)4-11-3-6/h2-4,8H,5,10H2,1H3
InChIKeyNQLDKZUXFXASBF-UHFFFAOYSA-N
MW279.16 g/mol
LogP0.89
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine

1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine (PubChem CID 130060487) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
PubChem CID130060487
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1cncc(Br)c1
InChIInChI=1S/C8H11BrN2O2S/c1-14(12,13)5-8(10)6-2-7(9)4-11-3-6/h2-4,8H,5,10H2,1H3
InChIKeyNQLDKZUXFXASBF-UHFFFAOYSA-N
XLogP0.89
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-amine
CID 82922561
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685
4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine (CID 130060487) is 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine is CS(=O)(=O)CC(N)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine?
The InChIKey is NQLDKZUXFXASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-14(12,13)5-8(10)6-2-7(9)4-11-3-6/h2-4,8H,5,10H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine?
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine has a molecular weight of 279.16 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 130060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).