3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide

C13H19N5O2S — CID 103304330

IUPAC3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C13H19N5O2S/c1-2-15-12-5-3-6-16-13(12)21(19,20)17-7-4-9-18-10-8-14-11-18/h3,5-6,8,10-11,15,17H,2,4,7,9H2,1H3
InChIKeyQITPRNAWHVUEKF-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.08
Rot. Bonds8

About 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide

3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide (PubChem CID 103304330) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
PubChem CID103304330
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCCCn1ccnc1
InChIInChI=1S/C13H19N5O2S/c1-2-15-12-5-3-6-16-13(12)21(19,20)17-7-4-9-18-10-8-14-11-18/h3,5-6,8,10-11,15,17H,2,4,7,9H2,1H3
InChIKeyQITPRNAWHVUEKF-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 ≤ 500309.39
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

3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
3-(ethylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 103306593
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
1-N-ethyl-3-N-(3-imidazol-1-ylpropyl)-2-nitrobenzene-1,3-diamine
CID 80757386
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305421

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide (CID 103304330) is 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCCCn1ccnc1.
What is the InChIKey of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide?
The InChIKey is QITPRNAWHVUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-15-12-5-3-6-16-13(12)21(19,20)17-7-4-9-18-10-8-14-11-18/h3,5-6,8,10-11,15,17H,2,4,7,9H2,1H3.
What are the key properties of 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide?
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide has a molecular weight of 309.39 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 3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103304330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).