5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide

C12H21N3O2S2 — CID 106066192

IUPAC5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCSC)nc1
InChIInChI=1S/C12H21N3O2S2/c1-3-13-9-11-5-6-12(14-10-11)19(16,17)15-7-4-8-18-2/h5-6,10,13,15H,3-4,7-9H2,1-2H3
InChIKeyMTXKOLJSGPYZEJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.22
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide

5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide (PubChem CID 106066192) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
PubChem CID106066192
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCCSC)nc1
InChIInChI=1S/C12H21N3O2S2/c1-3-13-9-11-5-6-12(14-10-11)19(16,17)15-7-4-8-18-2/h5-6,10,13,15H,3-4,7-9H2,1-2H3
InChIKeyMTXKOLJSGPYZEJ-UHFFFAOYSA-N
XLogP1.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
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-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070
N-(3-methylsulfanylbutyl)-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106082285
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
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
1-[3-(ethylaminomethyl)phenyl]-N-(3-methylsulfanylpropyl)methanesulfonamide
CID 106066257
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide (CID 106066192) is 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCCSC)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide?
The InChIKey is MTXKOLJSGPYZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-13-9-11-5-6-12(14-10-11)19(16,17)15-7-4-8-18-2/h5-6,10,13,15H,3-4,7-9H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide has a molecular weight of 303.45 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 5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106066192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).