ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate

C8H16N2O5S — CID 60925678

IUPACethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C8H16N2O5S/c1-3-15-7(11)6-10-8(12)9-4-5-16(2,13)14/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyRJWWLOXHUGEXDB-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.11
Rot. Bonds6

About ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate

ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate (PubChem CID 60925678) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate
PubChem CID60925678
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Nameethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCS(C)(=O)=O
InChIInChI=1S/C8H16N2O5S/c1-3-15-7(11)6-10-8(12)9-4-5-16(2,13)14/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyRJWWLOXHUGEXDB-UHFFFAOYSA-N
XLogP-1.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate (CID 60925678) is ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCCS(C)(=O)=O.
What is the InChIKey of ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate?
The InChIKey is RJWWLOXHUGEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-3-15-7(11)6-10-8(12)9-4-5-16(2,13)14/h3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate?
ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate has a molecular weight of 252.29 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate is sourced from PubChem (CID 60925678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).