ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate

C11H16N2O4S — CID 60863124

IUPACethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(14)9-13-18(15,16)8-6-10-5-3-4-7-12-10/h3-5,7,13H,2,6,8-9H2,1H3
InChIKeyWSULUKFEXRCXAB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.11
Rot. Bonds7

About ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate

ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate (PubChem CID 60863124) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
PubChem CID60863124
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(14)9-13-18(15,16)8-6-10-5-3-4-7-12-10/h3-5,7,13H,2,6,8-9H2,1H3
InChIKeyWSULUKFEXRCXAB-UHFFFAOYSA-N
XLogP0.11
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738
methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
3-hydroxy-3-methyl-4-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 66002755
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
ethyl 2-(2-benzamidoethylsulfonylamino)acetate
CID 7600976
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate (CID 60863124) is ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate?
The InChIKey is WSULUKFEXRCXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-17-11(14)9-13-18(15,16)8-6-10-5-3-4-7-12-10/h3-5,7,13H,2,6,8-9H2,1H3.
What are the key properties of ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate?
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate has a molecular weight of 272.33 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate is sourced from PubChem (CID 60863124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).