N-(4-aminobutyl)pyridine-3-sulfonamide

C9H15N3O2S — CID 60893787

IUPACN-(4-aminobutyl)pyridine-3-sulfonamide
SMILESNCCCCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H15N3O2S/c10-5-1-2-7-12-15(13,14)9-4-3-6-11-8-9/h3-4,6,8,12H,1-2,5,7,10H2
InChIKeyDBPYDDSTRAFGBM-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.10
Rot. Bonds6

About N-(4-aminobutyl)pyridine-3-sulfonamide

N-(4-aminobutyl)pyridine-3-sulfonamide (PubChem CID 60893787) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(4-aminobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)pyridine-3-sulfonamide
PubChem CID60893787
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-(4-aminobutyl)pyridine-3-sulfonamide
SMILESNCCCCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H15N3O2S/c10-5-1-2-7-12-15(13,14)9-4-3-6-11-8-9/h3-4,6,8,12H,1-2,5,7,10H2
InChIKeyDBPYDDSTRAFGBM-UHFFFAOYSA-N
XLogP0.10
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.10
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

N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
CID 114171596
N-propylpyridine-3-sulfonamide
CID 43258995
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(4-aminobutyl)-2-phenylpyrimidine-5-sulfonamide
CID 120713435
N-[3-(1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 91814434
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-aminobutyl)pyridine-3-sulfonamide (CID 60893787) is N-(4-aminobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)pyridine-3-sulfonamide is NCCCCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(4-aminobutyl)pyridine-3-sulfonamide?
The InChIKey is DBPYDDSTRAFGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-5-1-2-7-12-15(13,14)9-4-3-6-11-8-9/h3-4,6,8,12H,1-2,5,7,10H2.
What are the key properties of N-(4-aminobutyl)pyridine-3-sulfonamide?
N-(4-aminobutyl)pyridine-3-sulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 60893787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).