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

C14H25N3O3S — CID 106017521

IUPACN-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1ccc(CNCC)cn1
InChIInChI=1S/C14H25N3O3S/c1-3-5-9-20-10-8-17-21(18,19)14-7-6-13(12-16-14)11-15-4-2/h6-7,12,15,17H,3-5,8-11H2,1-2H3
InChIKeyHITIWPOZALRALH-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.29
Rot. Bonds11

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

N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106017521) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
PubChem CID106017521
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1ccc(CNCC)cn1
InChIInChI=1S/C14H25N3O3S/c1-3-5-9-20-10-8-17-21(18,19)14-7-6-13(12-16-14)11-15-4-2/h6-7,12,15,17H,3-5,8-11H2,1-2H3
InChIKeyHITIWPOZALRALH-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
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
5-(aminomethyl)-N-(2-ethoxyethyl)pyridine-2-sulfonamide
CID 106020136
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
CID 106088578
5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106016201
N-(3-methylsulfanylbutyl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106082285

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide (CID 106017521) is N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide is CCCCOCCNS(=O)(=O)c1ccc(CNCC)cn1.
What is the InChIKey of N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is HITIWPOZALRALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-5-9-20-10-8-17-21(18,19)14-7-6-13(12-16-14)11-15-4-2/h6-7,12,15,17H,3-5,8-11H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide?
N-(2-butoxyethyl)-5-(ethylaminomethyl)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 N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106017521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).