ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate

C11H15FN2O4S — CID 103299959

IUPACethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O4S/c1-3-18-10(15)6-8-14(2)19(16,17)11-9(12)5-4-7-13-11/h4-5,7H,3,6,8H2,1-2H3
InChIKeyJZBBSLAOQXDFOR-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.79
Rot. Bonds6

About ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate

ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate (PubChem CID 103299959) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
PubChem CID103299959
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Nameethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H15FN2O4S/c1-3-18-10(15)6-8-14(2)19(16,17)11-9(12)5-4-7-13-11/h4-5,7H,3,6,8H2,1-2H3
InChIKeyJZBBSLAOQXDFOR-UHFFFAOYSA-N
XLogP0.79
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
ethyl 3-[(5-fluoroquinolin-8-yl)methyl-methylamino]propanoate
CID 62013386
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-sulfonamide
CID 103300378
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate (CID 103299959) is ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate is CCOC(=O)CCN(C)S(=O)(=O)c1ncccc1F.
What is the InChIKey of ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate?
The InChIKey is JZBBSLAOQXDFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-3-18-10(15)6-8-14(2)19(16,17)11-9(12)5-4-7-13-11/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate?
ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate has a molecular weight of 290.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate is sourced from PubChem (CID 103299959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).