5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide

C13H19N3O3S — CID 104765008

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C13H19N3O3S/c1-11(2)19-7-6-16-20(17,18)13-8-12(4-3-5-14)9-15-10-13/h8-11,16H,5-7,14H2,1-2H3
InChIKeyDKEDKZKURSKBCI-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.10
Rot. Bonds6

About 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide

5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide (PubChem CID 104765008) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
PubChem CID104765008
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cncc(C#CCN)c1
InChIInChI=1S/C13H19N3O3S/c1-11(2)19-7-6-16-20(17,18)13-8-12(4-3-5-14)9-15-10-13/h8-11,16H,5-7,14H2,1-2H3
InChIKeyDKEDKZKURSKBCI-UHFFFAOYSA-N
XLogP0.10
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640359
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240785
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922
5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107415019
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 60844266
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 65481170
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
4-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640361
5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 63692569
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104764981
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide (CID 104765008) is 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide is CC(C)OCCNS(=O)(=O)c1cncc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
The InChIKey is DKEDKZKURSKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-11(2)19-7-6-16-20(17,18)13-8-12(4-3-5-14)9-15-10-13/h8-11,16H,5-7,14H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 104765008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).