2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide

C14H17N3O3S — CID 106594268

IUPAC2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H17N3O3S/c15-11-13-14(7-4-8-16-13)21(18,19)17-9-10-20-12-5-2-1-3-6-12/h1-8,17H,9-11,15H2
InChIKeyNTBYQKGMFYQYAJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.90
Rot. Bonds7

About 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide (PubChem CID 106594268) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
PubChem CID106594268
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H17N3O3S/c15-11-13-14(7-4-8-16-13)21(18,19)17-9-10-20-12-5-2-1-3-6-12/h1-8,17H,9-11,15H2
InChIKeyNTBYQKGMFYQYAJ-UHFFFAOYSA-N
XLogP0.90
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.90
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
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
CID 3855904
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide (CID 106594268) is 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide is NCc1ncccc1S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide?
The InChIKey is NTBYQKGMFYQYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-11-13-14(7-4-8-16-13)21(18,19)17-9-10-20-12-5-2-1-3-6-12/h1-8,17H,9-11,15H2.
What are the key properties of 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).