ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate

C7H15N3O5S — CID 43552646

IUPACethyl 2-(2-sulfamoylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H15N3O5S/c1-2-15-6(11)5-10-7(12)9-3-4-16(8,13)14/h2-5H2,1H3,(H2,8,13,14)(H2,9,10,12)
InChIKeyLWWPKCGRVPNNDR-UHFFFAOYSA-N
MW253.28 g/mol
LogP-1.86
Rot. Bonds6

About ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate

ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate (PubChem CID 43552646) has the molecular formula C7H15N3O5S and a molecular weight of 253.28 g/mol. Its IUPAC name is ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-sulfamoylethylcarbamoylamino)acetate
PubChem CID43552646
Molecular FormulaC7H15N3O5S
Molecular Weight253.28 g/mol
Exact Mass253.07
IUPAC Nameethyl 2-(2-sulfamoylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H15N3O5S/c1-2-15-6(11)5-10-7(12)9-3-4-16(8,13)14/h2-5H2,1H3,(H2,8,13,14)(H2,9,10,12)
InChIKeyLWWPKCGRVPNNDR-UHFFFAOYSA-N
XLogP-1.86
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-oxo-1,2,4-thiadiazinane-5-carboxylate 1,1-dioxide
CID 24971927
Ethyl 2-[2-(methanesulfonamido)ethylcarbamoylamino]acetate
CID 43546343
2-[Methyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 43552617
2-(2-Sulfamoylethylcarbamoylamino)acetic acid
CID 43552645
Ethyl 2-oxo-2-(2-sulfamoylethylamino)acetate
CID 60893573
Ethyl 2-(2-methylsulfonylethylcarbamoylamino)acetate
CID 60925678
2-[Ethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 61203012
Ethyl 2-(3-methylsulfonylpropylcarbamoylamino)acetate
CID 61808727
Ethyl 2-(3-sulfamoylpropylcarbamoylamino)acetate
CID 61876923
Ethyl 2-(1-methylsulfonylpropan-2-ylcarbamoylamino)acetate
CID 64643063
Ethyl 2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]acetate
CID 78925094
2-[2-Methoxyethyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 79269665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate (CID 43552646) is ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCCS(N)(=O)=O.
What is the InChIKey of ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate?
The InChIKey is LWWPKCGRVPNNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O5S/c1-2-15-6(11)5-10-7(12)9-3-4-16(8,13)14/h2-5H2,1H3,(H2,8,13,14)(H2,9,10,12).
What are the key properties of ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate?
ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate has a molecular weight of 253.28 g/mol, XLogP of -1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-sulfamoylethylcarbamoylamino)acetate is sourced from PubChem (CID 43552646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).