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

C10H16BrN3O2S — CID 71920341

IUPACN-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1ncc(Br)cc1C
InChIInChI=1S/C10H16BrN3O2S/c1-3-17(15,16)14-5-4-12-10-8(2)6-9(11)7-13-10/h6-7,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyIUFBSUCNBZZCCT-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.50
Rot. Bonds6

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

N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide (PubChem CID 71920341) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
PubChem CID71920341
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1ncc(Br)cc1C
InChIInChI=1S/C10H16BrN3O2S/c1-3-17(15,16)14-5-4-12-10-8(2)6-9(11)7-13-10/h6-7,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyIUFBSUCNBZZCCT-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide (CID 71920341) is N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNc1ncc(Br)cc1C.
What is the InChIKey of N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The InChIKey is IUFBSUCNBZZCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-3-17(15,16)14-5-4-12-10-8(2)6-9(11)7-13-10/h6-7,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide?
N-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide 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-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 71920341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).