N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide

C9H14BrN3O2S — CID 112581880

IUPACN-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cccc(Br)n1
InChIInChI=1S/C9H14BrN3O2S/c1-16(14,15)12-6-5-11-7-8-3-2-4-9(10)13-8/h2-4,11-12H,5-7H2,1H3
InChIKeyFGHMNRHLGZPFHN-UHFFFAOYSA-N
MW308.20 g/mol
LogP0.48
Rot. Bonds6

About N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide

N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide (PubChem CID 112581880) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
PubChem CID112581880
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC NameN-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cccc(Br)n1
InChIInChI=1S/C9H14BrN3O2S/c1-16(14,15)12-6-5-11-7-8-3-2-4-9(10)13-8/h2-4,11-12H,5-7H2,1H3
InChIKeyFGHMNRHLGZPFHN-UHFFFAOYSA-N
XLogP0.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
CID 112581934
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731619
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578
N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 80709456
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 112582147
N-[(6-amino-2-pyridinyl)methyl]methanesulfonamide
CID 165476485
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 112582510
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 103953076

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide (CID 112581880) is N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1cccc(Br)n1.
What is the InChIKey of N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is FGHMNRHLGZPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-16(14,15)12-6-5-11-7-8-3-2-4-9(10)13-8/h2-4,11-12H,5-7H2,1H3.
What are the key properties of N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 112581880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).