2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine

C14H26N4O2S — CID 106071151

IUPAC2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C14H26N4O2S/c1-5-9-15-10-6-11-18(4)21(19,20)17-14-8-7-12(2)16-13(14)3/h7-8,15,17H,5-6,9-11H2,1-4H3
InChIKeyIHUHADDLIGCUHJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.68
Rot. Bonds9

About 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine

2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (PubChem CID 106071151) has the molecular formula C14H26N4O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
PubChem CID106071151
Molecular FormulaC14H26N4O2S
Molecular Weight314.45 g/mol
Exact Mass314.18
IUPAC Name2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C14H26N4O2S/c1-5-9-15-10-6-11-18(4)21(19,20)17-14-8-7-12(2)16-13(14)3/h7-8,15,17H,5-6,9-11H2,1-4H3
InChIKeyIHUHADDLIGCUHJ-UHFFFAOYSA-N
XLogP1.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-3-pyridylamine
CID 76964
Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
(6-Methylpyridin-2-yl)methanamine
CID 246721
N,N'-(pyridine-2,6-diylbis(methylene))dianiline
CID 21130249
Acetamide, N,N'-((2,6-pyridylidene)dimethylene)di-
CID 49857
1-[[6-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]methyl]-1,4,8,11-tetrazacyclotetradecane;hydrobromide
CID 52947830
1-[[6-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-2-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 461237
3,6,9,12,18-Pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CID 11207423
2-Pyridineacetamide, N-ethyl-6-methylthio-
CID 3038160
2-(6-Methylpyridin-2-yl)ethan-1-amine
CID 1514165
2,6-Pyridinedimethanamine
CID 13723754
1-(6-Methylpyridin-2-yl)ethan-1-amine
CID 23220124

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The IUPAC name of 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (CID 106071151) is 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.
What is the SMILES notation for 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The canonical SMILES for 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is CCCNCCCN(C)S(=O)(=O)Nc1ccc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The InChIKey is IHUHADDLIGCUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-9-15-10-6-11-18(4)21(19,20)17-14-8-7-12(2)16-13(14)3/h7-8,15,17H,5-6,9-11H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine has a molecular weight of 314.45 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is sourced from PubChem (CID 106071151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).