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

C10H16BrN3O2S — CID 102677386

IUPACN-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCc1cnc(NCCCNS(C)(=O)=O)c(Br)c1
InChIInChI=1S/C10H16BrN3O2S/c1-8-6-9(11)10(13-7-8)12-4-3-5-14-17(2,15)16/h6-7,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyNYEPQPQWTAPSDG-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.50
Rot. Bonds6

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

N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide (PubChem CID 102677386) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
PubChem CID102677386
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCc1cnc(NCCCNS(C)(=O)=O)c(Br)c1
InChIInChI=1S/C10H16BrN3O2S/c1-8-6-9(11)10(13-7-8)12-4-3-5-14-17(2,15)16/h6-7,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyNYEPQPQWTAPSDG-UHFFFAOYSA-N
XLogP1.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
N-[2-[(5-amino-3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79532367
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269
N-[3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 104576353
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide (CID 102677386) is N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide is Cc1cnc(NCCCNS(C)(=O)=O)c(Br)c1.
What is the InChIKey of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The InChIKey is NYEPQPQWTAPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-8-6-9(11)10(13-7-8)12-4-3-5-14-17(2,15)16/h6-7,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide?
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 102677386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).