N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide

C8H13BrN4O2S — CID 61228086

IUPACN-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncc(Br)cc1N
InChIInChI=1S/C8H13BrN4O2S/c1-16(14,15)13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5,13H,2-3,10H2,1H3,(H,11,12)
InChIKeyQMIFNECVZAVBBA-UHFFFAOYSA-N
MW309.19 g/mol
LogP0.39
Rot. Bonds5

About N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide

N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 61228086) has the molecular formula C8H13BrN4O2S and a molecular weight of 309.19 g/mol. Its IUPAC name is N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID61228086
Molecular FormulaC8H13BrN4O2S
Molecular Weight309.19 g/mol
Exact Mass307.99
IUPAC NameN-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncc(Br)cc1N
InChIInChI=1S/C8H13BrN4O2S/c1-16(14,15)13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5,13H,2-3,10H2,1H3,(H,11,12)
InChIKeyQMIFNECVZAVBBA-UHFFFAOYSA-N
XLogP0.39
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-amino-3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79532367
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334310
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
N-[2-[(3-amino-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 43545947
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 112675620
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide (CID 61228086) is N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ncc(Br)cc1N.
What is the InChIKey of N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is QMIFNECVZAVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O2S/c1-16(14,15)13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5,13H,2-3,10H2,1H3,(H,11,12).
What are the key properties of N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 61228086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).