3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide

C11H19N3O2S — CID 106086909

IUPAC3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-3-12-8-5-9-17(15,16)14-11-7-4-6-10(2)13-11/h4,6-7,12H,3,5,8-9H2,1-2H3,(H,13,14)
InChIKeyHXJDOIZWJYCXFX-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.13
Rot. Bonds7

About 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide

3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide (PubChem CID 106086909) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
PubChem CID106086909
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1cccc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-3-12-8-5-9-17(15,16)14-11-7-4-6-10(2)13-11/h4,6-7,12H,3,5,8-9H2,1-2H3,(H,13,14)
InChIKeyHXJDOIZWJYCXFX-UHFFFAOYSA-N
XLogP1.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.13
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-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
CID 61456032
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973693
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
CID 104821637
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
2-(ethylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787317
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)furan-2-sulfonamide
CID 106086991
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086860
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide (CID 106086909) is 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1cccc(C)n1.
What is the InChIKey of 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide?
The InChIKey is HXJDOIZWJYCXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-12-8-5-9-17(15,16)14-11-7-4-6-10(2)13-11/h4,6-7,12H,3,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide?
3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 106086909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).