N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide

C12H21N3O3S — CID 82222909

IUPACN-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1cncc(S(=O)(=O)NCCCOCC)c1
InChIInChI=1S/C12H21N3O3S/c1-3-14-11-8-12(10-13-9-11)19(16,17)15-6-5-7-18-4-2/h8-10,14-15H,3-7H2,1-2H3
InChIKeyPYRBXRRLGITJCK-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.22
Rot. Bonds9

About N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide

N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide (PubChem CID 82222909) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide
PubChem CID82222909
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1cncc(S(=O)(=O)NCCCOCC)c1
InChIInChI=1S/C12H21N3O3S/c1-3-14-11-8-12(10-13-9-11)19(16,17)15-6-5-7-18-4-2/h8-10,14-15H,3-7H2,1-2H3
InChIKeyPYRBXRRLGITJCK-UHFFFAOYSA-N
XLogP1.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.22
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

5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
5-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 82222898
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
5-amino-N-(3-ethoxypropyl)-1H-pyrazole-4-sulfonamide
CID 60813356
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
5-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 82222930
4-(aminomethyl)-N-(3-ethoxypropyl)-3-methylbenzenesulfonamide
CID 106919050
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide (CID 82222909) is N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide is CCNc1cncc(S(=O)(=O)NCCCOCC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is PYRBXRRLGITJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-14-11-8-12(10-13-9-11)19(16,17)15-6-5-7-18-4-2/h8-10,14-15H,3-7H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide?
N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 82222909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).