2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide

C14H25N3O2S — CID 106593797

IUPAC2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-5-10-17(11-6-4-2)20(18,19)14-8-7-9-16-13(14)12-15/h7-9H,3-6,10-12,15H2,1-2H3
InChIKeyABFCEYLHNHWXDG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.13
Rot. Bonds9

About 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide

2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide (PubChem CID 106593797) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
PubChem CID106593797
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C14H25N3O2S/c1-3-5-10-17(11-6-4-2)20(18,19)14-8-7-9-16-13(14)12-15/h7-9H,3-6,10-12,15H2,1-2H3
InChIKeyABFCEYLHNHWXDG-UHFFFAOYSA-N
XLogP2.13
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
3-(dibutylsulfamoyl)pyridine-2-carbothioamide
CID 106596522
2-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 106594255
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 106593972
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 106594258
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
N-butyl-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 43383623
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-3-sulfonamide
CID 106594703
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide (CID 106593797) is 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide?
The InChIKey is ABFCEYLHNHWXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-5-10-17(11-6-4-2)20(18,19)14-8-7-9-16-13(14)12-15/h7-9H,3-6,10-12,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide?
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide is sourced from PubChem (CID 106593797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).