5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide

C13H19N5O2S — CID 94963622

IUPAC5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESCCNc1cncc(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C13H19N5O2S/c1-2-16-12-8-13(10-15-9-12)21(19,20)17-4-3-6-18-7-5-14-11-18/h5,7-11,16-17H,2-4,6H2,1H3
InChIKeyZXBQFCGAZLQTQF-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.08
Rot. Bonds8

About 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide

5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 94963622) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID94963622
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESCCNc1cncc(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C13H19N5O2S/c1-2-16-12-8-13(10-15-9-12)21(19,20)17-4-3-6-18-7-5-14-11-18/h5,7-11,16-17H,2-4,6H2,1H3
InChIKeyZXBQFCGAZLQTQF-UHFFFAOYSA-N
XLogP1.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide
CID 82222909
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
CID 103304330
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide (CID 94963622) is 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide is CCNc1cncc(S(=O)(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is ZXBQFCGAZLQTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-16-12-8-13(10-15-9-12)21(19,20)17-4-3-6-18-7-5-14-11-18/h5,7-11,16-17H,2-4,6H2,1H3.
What are the key properties of 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide?
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 94963622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).