ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate

C12H19N3O4S — CID 103340848

IUPACethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H19N3O4S/c1-4-19-12(16)7-8-13-11-6-5-10(9-14-11)20(17,18)15(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyPBBBWAVFYJSGNL-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.70
Rot. Bonds7

About ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate

ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate (PubChem CID 103340848) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
PubChem CID103340848
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Nameethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C12H19N3O4S/c1-4-19-12(16)7-8-13-11-6-5-10(9-14-11)20(17,18)15(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)
InChIKeyPBBBWAVFYJSGNL-UHFFFAOYSA-N
XLogP0.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate 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

ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
methyl 3-[(5-sulfamoyl-2-pyridinyl)amino]propanoate
CID 60653849
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 106338159
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
6-[3-(diethylamino)propylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103340951
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate (CID 103340848) is ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate is CCOC(=O)CCNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate?
The InChIKey is PBBBWAVFYJSGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-19-12(16)7-8-13-11-6-5-10(9-14-11)20(17,18)15(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14).
What are the key properties of ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate?
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate has a molecular weight of 301.37 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 103340848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).