3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide

C11H19N3O2S — CID 106088035

IUPAC3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C11H19N3O2S/c1-3-12-5-4-6-17(15,16)14-11-7-10(2)8-13-9-11/h7-9,12,14H,3-6H2,1-2H3
InChIKeyJFYATHJNJNUDEG-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.13
Rot. Bonds7

About 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide

3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide (PubChem CID 106088035) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
PubChem CID106088035
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C11H19N3O2S/c1-3-12-5-4-6-17(15,16)14-11-7-10(2)8-13-9-11/h7-9,12,14H,3-6H2,1-2H3
InChIKeyJFYATHJNJNUDEG-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

2-(dimethylamino)-N-(5-methyl-3-pyridinyl)ethanesulfonamide;ethane
CID 145106836
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106076772
1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087991
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 145106847
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
2-(4-aminophenoxy)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 107584551

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide (CID 106088035) is 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1cncc(C)c1.
What is the InChIKey of 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide?
The InChIKey is JFYATHJNJNUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-12-5-4-6-17(15,16)14-11-7-10(2)8-13-9-11/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide?
3-(ethylamino)-N-(5-methyl-3-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-(5-methyl-3-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 106088035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).