ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate

C11H23NO4S — CID 65095633

IUPACethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC)CCCS(=O)(=O)CC
InChIInChI=1S/C11H23NO4S/c1-4-12(10-11(13)16-5-2)8-7-9-17(14,15)6-3/h4-10H2,1-3H3
InChIKeyRGINCHZQMGQORR-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.70
Rot. Bonds9

About ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate

ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate (PubChem CID 65095633) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
PubChem CID65095633
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC)CCCS(=O)(=O)CC
InChIInChI=1S/C11H23NO4S/c1-4-12(10-11(13)16-5-2)8-7-9-17(14,15)6-3/h4-10H2,1-3H3
InChIKeyRGINCHZQMGQORR-UHFFFAOYSA-N
XLogP0.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
CID 55210801
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-propylsulfonylacetate
CID 21245347
ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate (CID 65095633) is ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate is CCOC(=O)CN(CC)CCCS(=O)(=O)CC.
What is the InChIKey of ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate?
The InChIKey is RGINCHZQMGQORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-12(10-11(13)16-5-2)8-7-9-17(14,15)6-3/h4-10H2,1-3H3.
What are the key properties of ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate?
ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate has a molecular weight of 265.37 g/mol, XLogP of 0.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate is sourced from PubChem (CID 65095633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).