ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate

C12H18N2O4S — CID 55008366

IUPACethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H18N2O4S/c1-3-18-12(15)10-14(2)19(16,17)9-7-11-6-4-5-8-13-11/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyRHTCKRTXFBWQHZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.45
Rot. Bonds7

About ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate

ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate (PubChem CID 55008366) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
PubChem CID55008366
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H18N2O4S/c1-3-18-12(15)10-14(2)19(16,17)9-7-11-6-4-5-8-13-11/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyRHTCKRTXFBWQHZ-UHFFFAOYSA-N
XLogP0.45
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
CID 3827562
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61067284

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate (CID 55008366) is ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate is CCOC(=O)CN(C)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate?
The InChIKey is RHTCKRTXFBWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-18-12(15)10-14(2)19(16,17)9-7-11-6-4-5-8-13-11/h4-6,8H,3,7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate?
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate has a molecular weight of 286.35 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate is sourced from PubChem (CID 55008366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).