ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate

C11H23NO4S — CID 62490262

IUPACethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-7-16-10(13)8-12(9(2)3)17(14,15)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyQKKFGQYASVXHJA-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.39
Rot. Bonds5

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

ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate (PubChem CID 62490262) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
PubChem CID62490262
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-7-16-10(13)8-12(9(2)3)17(14,15)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyQKKFGQYASVXHJA-UHFFFAOYSA-N
XLogP1.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[propan-2-yl(propan-2-ylsulfamoyl)amino]acetate
CID 115969655
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
ethyl 2-[(2,5-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61021456
ethyl 2-[morpholin-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 51087618
ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 62047555
ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate
CID 14879144
ethyl 2-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]acetate
CID 51891961
ethyl 2-[(2-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61127209
ethyl 2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 61125279
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61047092
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate (CID 62490262) is ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate?
The InChIKey is QKKFGQYASVXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-7-16-10(13)8-12(9(2)3)17(14,15)11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate?
ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate has a molecular weight of 265.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62490262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).