(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine

C8H11BrN2O2S — CID 130606678

IUPAC(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)C[C@H](N)c1cccc(Br)n1
InChIInChI=1S/C8H11BrN2O2S/c1-14(12,13)5-6(10)7-3-2-4-8(9)11-7/h2-4,6H,5,10H2,1H3/t6-/m0/s1
InChIKeyNILARFREZPNPKA-LURJTMIESA-N
MW279.16 g/mol
LogP0.89
Rot. Bonds3

About (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine

(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine (PubChem CID 130606678) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
PubChem CID130606678
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name(1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)C[C@H](N)c1cccc(Br)n1
InChIInChI=1S/C8H11BrN2O2S/c1-14(12,13)5-6(10)7-3-2-4-8(9)11-7/h2-4,6H,5,10H2,1H3/t6-/m0/s1
InChIKeyNILARFREZPNPKA-LURJTMIESA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(6-bromo-2-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171203397
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
(1R)-1-(6-bromo-2-pyridinyl)-4-methylpentan-1-amine;hydrochloride
CID 171203416
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972
(1R)-1-(6-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203392
(1R,2S)-1-(6-bromo-2-pyridinyl)propane-1,2-diamine
CID 130806151
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
(1R)-1-(6-bromo-2-pyridinyl)pent-4-en-1-amine;hydrochloride
CID 171203412
(1R,2S)-1-(6-bromo-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 131122744
ethyl (3R)-3-amino-3-(6-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240797
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine?
The IUPAC name of (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine (CID 130606678) is (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine.
What is the SMILES notation for (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine?
The canonical SMILES for (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine is CS(=O)(=O)C[C@H](N)c1cccc(Br)n1.
What is the InChIKey of (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine?
The InChIKey is NILARFREZPNPKA-LURJTMIESA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-14(12,13)5-6(10)7-3-2-4-8(9)11-7/h2-4,6H,5,10H2,1H3/t6-/m0/s1.
What are the key properties of (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine?
(1R)-1-(6-bromo-2-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 (1R)-1-(6-bromo-2-pyridinyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 130606678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).