6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide

C13H24N4O2S — CID 102992641

IUPAC6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H24N4O2S/c1-4-17(9-5-8-16(2)3)20(18,19)13-7-6-12(10-14)15-11-13/h6-7,11H,4-5,8-10,14H2,1-3H3
InChIKeyRQXIUFFPUQCZBD-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.50
Rot. Bonds8

About 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide

6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide (PubChem CID 102992641) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
PubChem CID102992641
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H24N4O2S/c1-4-17(9-5-8-16(2)3)20(18,19)13-7-6-12(10-14)15-11-13/h6-7,11H,4-5,8-10,14H2,1-3H3
InChIKeyRQXIUFFPUQCZBD-UHFFFAOYSA-N
XLogP0.50
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
2-amino-N-butyl-N-ethylpyrimidine-5-sulfonamide
CID 62149065
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide (CID 102992641) is 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide?
The InChIKey is RQXIUFFPUQCZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-17(9-5-8-16(2)3)20(18,19)13-7-6-12(10-14)15-11-13/h6-7,11H,4-5,8-10,14H2,1-3H3.
What are the key properties of 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide?
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 102992641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).