4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine

C13H24N4O2S — CID 106022387

IUPAC4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
SMILESCCNCCCN(C)S(=O)(=O)NC(C)c1ccncc1
InChIInChI=1S/C13H24N4O2S/c1-4-14-8-5-11-17(3)20(18,19)16-12(2)13-6-9-15-10-7-13/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3
InChIKeyHUZXSMCZQQXBOO-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.91
Rot. Bonds9

About 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine

4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine (PubChem CID 106022387) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine.

Molecular Properties

Compound Name4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
PubChem CID106022387
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
SMILESCCNCCCN(C)S(=O)(=O)NC(C)c1ccncc1
InChIInChI=1S/C13H24N4O2S/c1-4-14-8-5-11-17(3)20(18,19)16-12(2)13-6-9-15-10-7-13/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3
InChIKeyHUZXSMCZQQXBOO-UHFFFAOYSA-N
XLogP0.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]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

3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
CID 81404403
1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
CID 106000708
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
CID 106010320
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
CID 106083594
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
CID 113339062
N'-methyl-N'-propan-2-yl-N-(1-pyridin-4-ylethyl)propane-1,3-diamine
CID 103882819
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-N-ethyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pentane-1,4-diamine
CID 62428140
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
3-ethylsulfonyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 65093199
2-chloro-N-[(1S)-1-pyridin-4-ylethyl]ethanesulfonamide
CID 107858762

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine?
The IUPAC name of 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine (CID 106022387) is 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine.
What is the SMILES notation for 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine?
The canonical SMILES for 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine is CCNCCCN(C)S(=O)(=O)NC(C)c1ccncc1.
What is the InChIKey of 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine?
The InChIKey is HUZXSMCZQQXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-14-8-5-11-17(3)20(18,19)16-12(2)13-6-9-15-10-7-13/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3.
What are the key properties of 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine?
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine has a molecular weight of 300.43 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine is sourced from PubChem (CID 106022387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).