5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide

C14H25N3O3S — CID 106092686

IUPAC5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCCOC)nc1
InChIInChI=1S/C14H25N3O3S/c1-3-15-11-13-7-8-14(16-12-13)21(18,19)17-9-5-4-6-10-20-2/h7-8,12,15,17H,3-6,9-11H2,1-2H3
InChIKeyBPCZDZLBRXOTMD-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.29
Rot. Bonds11

About 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide

5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide (PubChem CID 106092686) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
PubChem CID106092686
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCCCOC)nc1
InChIInChI=1S/C14H25N3O3S/c1-3-15-11-13-7-8-14(16-12-13)21(18,19)17-9-5-4-6-10-20-2/h7-8,12,15,17H,3-6,9-11H2,1-2H3
InChIKeyBPCZDZLBRXOTMD-UHFFFAOYSA-N
XLogP1.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.29
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-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
CID 106088578

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide (CID 106092686) is 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCCCCOC)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide?
The InChIKey is BPCZDZLBRXOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-15-11-13-7-8-14(16-12-13)21(18,19)17-9-5-4-6-10-20-2/h7-8,12,15,17H,3-6,9-11H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.29, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106092686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).