ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate

C11H22N2O4S — CID 114811557

IUPACethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O4S/c1-5-17-10(14)8-13(9-6-7-9)18(15,16)12-11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyJUNCHCCAADIAON-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.65
Rot. Bonds6

About ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate

ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate (PubChem CID 114811557) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
PubChem CID114811557
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O4S/c1-5-17-10(14)8-13(9-6-7-9)18(15,16)12-11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyJUNCHCCAADIAON-UHFFFAOYSA-N
XLogP0.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[cyclopropyl(methylsulfonylmethylsulfonyl)amino]acetate
CID 82842680
ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
CID 79589738
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
CID 79930307
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane
CID 114812758
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
CID 113307595
ethyl 2-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]acetate
CID 54916791
ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
3-[tert-butylsulfamoyl(ethyl)amino]piperidine
CID 114805078
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate?
The IUPAC name of ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate (CID 114811557) is ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate?
The InChIKey is JUNCHCCAADIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-5-17-10(14)8-13(9-6-7-9)18(15,16)12-11(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate?
ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate has a molecular weight of 278.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate is sourced from PubChem (CID 114811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).