ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate

C10H22N2O4S — CID 115969655

IUPACethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)NC(C)C
InChIInChI=1S/C10H22N2O4S/c1-6-16-10(13)7-12(9(4)5)17(14,15)11-8(2)3/h8-9,11H,6-7H2,1-5H3
InChIKeySFIRYPQDVUYFPP-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.50
Rot. Bonds7

About ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate

ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate (PubChem CID 115969655) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
PubChem CID115969655
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)NC(C)C
InChIInChI=1S/C10H22N2O4S/c1-6-16-10(13)7-12(9(4)5)17(14,15)11-8(2)3/h8-9,11H,6-7H2,1-5H3
InChIKeySFIRYPQDVUYFPP-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
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ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
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ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate (CID 115969655) is ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)NC(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate?
The InChIKey is SFIRYPQDVUYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-6-16-10(13)7-12(9(4)5)17(14,15)11-8(2)3/h8-9,11H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate?
ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate has a molecular weight of 266.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate is sourced from PubChem (CID 115969655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).