methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate

C11H16N2O4S — CID 54899558

IUPACmethyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H16N2O4S/c1-3-13(8-6-11(14)17-2)18(15,16)10-5-4-7-12-9-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyJKORQLIXEBXTIX-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.66
Rot. Bonds6

About methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate

methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate (PubChem CID 54899558) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
PubChem CID54899558
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H16N2O4S/c1-3-13(8-6-11(14)17-2)18(15,16)10-5-4-7-12-9-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyJKORQLIXEBXTIX-UHFFFAOYSA-N
XLogP0.66
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-[(2-aminophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 43459312
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483729
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
methyl 3-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 62373306
methyl 3-[ethyl-(2,3,4-trifluorophenyl)sulfonylamino]propanoate
CID 61009932
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate (CID 54899558) is methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)c1cccnc1.
What is the InChIKey of methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate?
The InChIKey is JKORQLIXEBXTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-13(8-6-11(14)17-2)18(15,16)10-5-4-7-12-9-10/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate?
methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate is sourced from PubChem (CID 54899558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).