3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide

C8H13N3O3S — CID 103303676

IUPAC3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ncccc1N
InChIInChI=1S/C8H13N3O3S/c1-14-6-5-11-15(12,13)8-7(9)3-2-4-10-8/h2-4,11H,5-6,9H2,1H3
InChIKeyDXXUZABKKFCCMC-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.41
Rot. Bonds5

About 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide

3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide (PubChem CID 103303676) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
PubChem CID103303676
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ncccc1N
InChIInChI=1S/C8H13N3O3S/c1-14-6-5-11-15(12,13)8-7(9)3-2-4-10-8/h2-4,11H,5-6,9H2,1H3
InChIKeyDXXUZABKKFCCMC-UHFFFAOYSA-N
XLogP-0.41
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide (CID 103303676) is 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide is COCCNS(=O)(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide?
The InChIKey is DXXUZABKKFCCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-14-6-5-11-15(12,13)8-7(9)3-2-4-10-8/h2-4,11H,5-6,9H2,1H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide?
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103303676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).