N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide

C10H16BrN3O2S — CID 106070390

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C10H16BrN3O2S/c1-8-9(11)4-5-10(13-8)14-17(15,16)7-3-6-12-2/h4-5,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZDQOLMOXCGDNSH-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.50
Rot. Bonds6

About N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 106070390) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID106070390
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C10H16BrN3O2S/c1-8-9(11)4-5-10(13-8)14-17(15,16)7-3-6-12-2/h4-5,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyZDQOLMOXCGDNSH-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-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide (CID 106070390) is N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is ZDQOLMOXCGDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-8-9(11)4-5-10(13-8)14-17(15,16)7-3-6-12-2/h4-5,12H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide 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-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106070390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).