methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate

C11H21NO6S — CID 61457694

IUPACmethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate
SMILESCCCC(C)(NS(=O)(=O)CC(=O)OCC)C(=O)OC
InChIInChI=1S/C11H21NO6S/c1-5-7-11(3,10(14)17-4)12-19(15,16)8-9(13)18-6-2/h12H,5-8H2,1-4H3
InChIKeyZZDGCFCUHXHTDD-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.20
Rot. Bonds8

About methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate

methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate (PubChem CID 61457694) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate
PubChem CID61457694
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Namemethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate
SMILESCCCC(C)(NS(=O)(=O)CC(=O)OCC)C(=O)OC
InChIInChI=1S/C11H21NO6S/c1-5-7-11(3,10(14)17-4)12-19(15,16)8-9(13)18-6-2/h12H,5-8H2,1-4H3
InChIKeyZZDGCFCUHXHTDD-UHFFFAOYSA-N
XLogP0.20
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
CID 114811481
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
CID 63247219
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
methyl 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431070
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpentanoate
CID 43624453
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate (CID 61457694) is methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate is CCCC(C)(NS(=O)(=O)CC(=O)OCC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate?
The InChIKey is ZZDGCFCUHXHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-5-7-11(3,10(14)17-4)12-19(15,16)8-9(13)18-6-2/h12H,5-8H2,1-4H3.
What are the key properties of methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate?
methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate has a molecular weight of 295.36 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate is sourced from PubChem (CID 61457694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).