2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide

C11H19N3O3S — CID 106594289

IUPAC2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C11H19N3O3S/c1-17-8-3-2-7-14-18(15,16)11-5-4-6-13-10(11)9-12/h4-6,14H,2-3,7-9,12H2,1H3
InChIKeyYDELPNMBGJDJGO-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.25
Rot. Bonds8

About 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide (PubChem CID 106594289) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
PubChem CID106594289
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C11H19N3O3S/c1-17-8-3-2-7-14-18(15,16)11-5-4-6-13-10(11)9-12/h4-6,14H,2-3,7-9,12H2,1H3
InChIKeyYDELPNMBGJDJGO-UHFFFAOYSA-N
XLogP0.25
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
3-amino-N-(4-methoxybutyl)pyridine-2-sulfonamide
CID 103305180
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-sulfonamide
CID 106594373
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106594468
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide (CID 106594289) is 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide is COCCCCNS(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide?
The InChIKey is YDELPNMBGJDJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-17-8-3-2-7-14-18(15,16)11-5-4-6-13-10(11)9-12/h4-6,14H,2-3,7-9,12H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).