4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine

C13H24N4O2S — CID 106083594

IUPAC4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
SMILESCCNCCCN(C)S(=O)(=O)NCc1ccncc1C
InChIInChI=1S/C13H24N4O2S/c1-4-14-7-5-9-17(3)20(18,19)16-11-13-6-8-15-10-12(13)2/h6,8,10,14,16H,4-5,7,9,11H2,1-3H3
InChIKeyZZCQGUWNHPRUDL-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.66
Rot. Bonds9

About 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine

4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine (PubChem CID 106083594) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine.

Molecular Properties

Compound Name4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
PubChem CID106083594
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
SMILESCCNCCCN(C)S(=O)(=O)NCc1ccncc1C
InChIInChI=1S/C13H24N4O2S/c1-4-14-7-5-9-17(3)20(18,19)16-11-13-6-8-15-10-12(13)2/h6,8,10,14,16H,4-5,7,9,11H2,1-3H3
InChIKeyZZCQGUWNHPRUDL-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
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

4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
CID 106083535
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,3,5-trimethylpyrazole
CID 106069841
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
2-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-1H-imidazole
CID 106085278
N-[(3-methyl-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106083583
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methylbenzene
CID 54952251
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine?
The IUPAC name of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine (CID 106083594) is 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine.
What is the SMILES notation for 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine?
The canonical SMILES for 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine is CCNCCCN(C)S(=O)(=O)NCc1ccncc1C.
What is the InChIKey of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine?
The InChIKey is ZZCQGUWNHPRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-14-7-5-9-17(3)20(18,19)16-11-13-6-8-15-10-12(13)2/h6,8,10,14,16H,4-5,7,9,11H2,1-3H3.
What are the key properties of 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine?
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine has a molecular weight of 300.43 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine is sourced from PubChem (CID 106083594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).