5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine

C12H22N4O2S — CID 106073291

IUPAC5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
SMILESCCNCCCN(C)S(=O)(=O)Nc1ccc(C)nc1
InChIInChI=1S/C12H22N4O2S/c1-4-13-8-5-9-16(3)19(17,18)15-12-7-6-11(2)14-10-12/h6-7,10,13,15H,4-5,8-9H2,1-3H3
InChIKeyWYQXGBVOWGANRZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.98
Rot. Bonds8

About 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine

5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine (PubChem CID 106073291) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine.

Molecular Properties

Compound Name5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
PubChem CID106073291
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
SMILESCCNCCCN(C)S(=O)(=O)Nc1ccc(C)nc1
InChIInChI=1S/C12H22N4O2S/c1-4-13-8-5-9-16(3)19(17,18)15-12-7-6-11(2)14-10-12/h6-7,10,13,15H,4-5,8-9H2,1-3H3
InChIKeyWYQXGBVOWGANRZ-UHFFFAOYSA-N
XLogP0.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.98
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-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
1-chloro-3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylbenzene
CID 106057400
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
N-ethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64503028
4-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylpyridine
CID 106083594
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
CID 106056051
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106082471

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine?
The IUPAC name of 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine (CID 106073291) is 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine.
What is the SMILES notation for 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine?
The canonical SMILES for 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine is CCNCCCN(C)S(=O)(=O)Nc1ccc(C)nc1.
What is the InChIKey of 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine?
The InChIKey is WYQXGBVOWGANRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-13-8-5-9-16(3)19(17,18)15-12-7-6-11(2)14-10-12/h6-7,10,13,15H,4-5,8-9H2,1-3H3.
What are the key properties of 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine?
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine has a molecular weight of 286.40 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine is sourced from PubChem (CID 106073291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).