ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate

C9H19NO4S — CID 62010807

IUPACethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)CCS(=O)(=O)CC
InChIInChI=1S/C9H19NO4S/c1-4-14-9(11)8-10(3)6-7-15(12,13)5-2/h4-8H2,1-3H3
InChIKeySMJMXDSQGPMQMN-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.08
Rot. Bonds7

About ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate

ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate (PubChem CID 62010807) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
PubChem CID62010807
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Nameethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)CCS(=O)(=O)CC
InChIInChI=1S/C9H19NO4S/c1-4-14-9(11)8-10(3)6-7-15(12,13)5-2/h4-8H2,1-3H3
InChIKeySMJMXDSQGPMQMN-UHFFFAOYSA-N
XLogP-0.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
CID 65095633
ethyl 2-[methyl(4,4,4-trifluorobutyl)amino]acetate
CID 115518030
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-propylsulfonylacetate
CID 21245347
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate (CID 62010807) is ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate is CCOC(=O)CN(C)CCS(=O)(=O)CC.
What is the InChIKey of ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate?
The InChIKey is SMJMXDSQGPMQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-14-9(11)8-10(3)6-7-15(12,13)5-2/h4-8H2,1-3H3.
What are the key properties of ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate?
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate has a molecular weight of 237.32 g/mol, XLogP of -0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate is sourced from PubChem (CID 62010807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).