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

C10H17N3O3S — CID 106593983

IUPAC2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C10H17N3O3S/c1-2-16-7-6-13-17(14,15)10-4-3-5-12-9(10)8-11/h3-5,13H,2,6-8,11H2,1H3
InChIKeyQIBGULPHVYFBOC-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.14
Rot. Bonds7

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

2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide (PubChem CID 106593983) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
PubChem CID106593983
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cccnc1CN
InChIInChI=1S/C10H17N3O3S/c1-2-16-7-6-13-17(14,15)10-4-3-5-12-9(10)8-11/h3-5,13H,2,6-8,11H2,1H3
InChIKeyQIBGULPHVYFBOC-UHFFFAOYSA-N
XLogP-0.14
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.14
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-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide (CID 106593983) is 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide is CCOCCNS(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
The InChIKey is QIBGULPHVYFBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-16-7-6-13-17(14,15)10-4-3-5-12-9(10)8-11/h3-5,13H,2,6-8,11H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.14, 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-ethoxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106593983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).