ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate

C8H16N2O4S — CID 61457539

IUPACethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)5-15(12,13)10-7-3-6(9)4-7/h6-7,10H,2-5,9H2,1H3
InChIKeyRFGLBBIOFHDQCP-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.04
Rot. Bonds5

About ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate

ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate (PubChem CID 61457539) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
PubChem CID61457539
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C8H16N2O4S/c1-2-14-8(11)5-15(12,13)10-7-3-6(9)4-7/h6-7,10H,2-5,9H2,1H3
InChIKeyRFGLBBIOFHDQCP-UHFFFAOYSA-N
XLogP-1.04
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
CID 61459369
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
N-(3-aminocyclobutyl)ethanesulfonamide
CID 43597857
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
N-(3-aminocyclobutyl)butane-1-sulfonamide
CID 43597856
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
ethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
CID 61457574
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541
ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
CID 62963269
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 3-[(4-oxocyclohexyl)sulfamoyl]propanoate
CID 54951423
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
CID 65189082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate (CID 61457539) is ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NC1CC(N)C1.
What is the InChIKey of ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate?
The InChIKey is RFGLBBIOFHDQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-14-8(11)5-15(12,13)10-7-3-6(9)4-7/h6-7,10H,2-5,9H2,1H3.
What are the key properties of ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate?
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate has a molecular weight of 236.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate is sourced from PubChem (CID 61457539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).