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

C12H22N4O2S — CID 106082471

IUPAC2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C12H22N4O2S/c1-3-8-13-9-6-11-16(2)19(17,18)15-12-7-4-5-10-14-12/h4-5,7,10,13H,3,6,8-9,11H2,1-2H3,(H,14,15)
InChIKeyRFKDBRBNUNSOJT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.06
Rot. Bonds9

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

2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (PubChem CID 106082471) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.

Molecular Properties

Compound Name2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
PubChem CID106082471
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C12H22N4O2S/c1-3-8-13-9-6-11-16(2)19(17,18)15-12-7-4-5-10-14-12/h4-5,7,10,13H,3,6,8-9,11H2,1-2H3,(H,14,15)
InChIKeyRFKDBRBNUNSOJT-UHFFFAOYSA-N
XLogP1.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106070818
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
2-[1-[[3-aminopropyl(methyl)sulfamoyl]amino]ethyl]pyridine
CID 54952613
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The IUPAC name of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (CID 106082471) is 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.
What is the SMILES notation for 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The canonical SMILES for 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is CCCNCCCN(C)S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The InChIKey is RFKDBRBNUNSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-8-13-9-6-11-16(2)19(17,18)15-12-7-4-5-10-14-12/h4-5,7,10,13H,3,6,8-9,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine has a molecular weight of 286.40 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is sourced from PubChem (CID 106082471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).