[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate

C11H20F3NO4S — CID 58079086

IUPAC[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO4S/c1-6-9(2,3)8(16)19-7-10(4,5)15-20(17,18)11(12,13)14/h15H,6-7H2,1-5H3
InChIKeyXPCBYXLSMKZJHT-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.18
Rot. Bonds6

About [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate

[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate (PubChem CID 58079086) has the molecular formula C11H20F3NO4S and a molecular weight of 319.35 g/mol. Its IUPAC name is [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate
PubChem CID58079086
Molecular FormulaC11H20F3NO4S
Molecular Weight319.35 g/mol
Exact Mass319.11
IUPAC Name[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO4S/c1-6-9(2,3)8(16)19-7-10(4,5)15-20(17,18)11(12,13)14/h15H,6-7H2,1-5H3
InChIKeyXPCBYXLSMKZJHT-UHFFFAOYSA-N
XLogP2.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Trifluoromethylsulfonylamino)propan-2-yl 2,2-dimethylbutanoate
CID 58403296
[3-Methyl-2-(trifluoromethylsulfonylamino)butyl] 2,2-dimethylbutanoate
CID 58403300
[4,4,4-Trifluoro-2-(trifluoromethylsulfonylamino)butyl] 2,2-dimethylbutanoate
CID 58403301
2-(Trifluoromethylsulfonylamino)propyl 2,2-dimethylbutanoate
CID 58403304
2-(Trifluoromethylsulfonylamino)butyl 2,2-dimethylbutanoate
CID 58403306
1-(Trifluoromethylsulfonylamino)butan-2-yl 2,2-dimethylbutanoate
CID 58403310
2-(Trifluoromethylsulfonylamino)ethyl 2,2-dimethylbutanoate
CID 59211724
2-(1,1,2,2,3,3,4,4,5,5-Decafluoropentylsulfonylamino)ethyl 2,2-dimethylbutanoate
CID 59940541
[2-Methyl-2-(trifluoromethylsulfonylamino)propyl] 2-methylbutanoate
CID 88911495
2-(Trifluoromethylsulfonylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 89031065
3-(Trifluoromethylsulfonylamino)propyl 2,2-dimethylbutanoate
CID 89115461
[2-Ethyl-2-(trifluoromethylsulfonylamino)butyl] 2,2-dimethylbutanoate
CID 89297244

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate (CID 58079086) is [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(C)(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate?
The InChIKey is XPCBYXLSMKZJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO4S/c1-6-9(2,3)8(16)19-7-10(4,5)15-20(17,18)11(12,13)14/h15H,6-7H2,1-5H3.
What are the key properties of [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate?
[2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate has a molecular weight of 319.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(trifluoromethylsulfonylamino)propyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 58079086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).