ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate

C8H17N3O5S — CID 102676292

IUPACethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C8H17N3O5S/c1-3-16-7(12)6-11-8(13)10-4-5-17(14,15)9-2/h9H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyJNXUKYUDDHUWGP-UHFFFAOYSA-N
MW267.31 g/mol
LogP-1.60
Rot. Bonds7

About ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate

ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate (PubChem CID 102676292) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
PubChem CID102676292
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C8H17N3O5S/c1-3-16-7(12)6-11-8(13)10-4-5-17(14,15)9-2/h9H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyJNXUKYUDDHUWGP-UHFFFAOYSA-N
XLogP-1.60
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
CID 60656231
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
ethyl 2-(2-piperidin-1-ylethylcarbamoylamino)acetate
CID 60970318
1-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[2-(methylsulfamoyl)ethyl]urea
CID 118777029
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate (CID 102676292) is ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCS(=O)(=O)NC.
What is the InChIKey of ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate?
The InChIKey is JNXUKYUDDHUWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O5S/c1-3-16-7(12)6-11-8(13)10-4-5-17(14,15)9-2/h9H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate has a molecular weight of 267.31 g/mol, XLogP of -1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 102676292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).