tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate

C11H19F3N2O4S — CID 166891909

IUPACtert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate
SMILESCN(CCS(C)(=O)=NC(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F3N2O4S/c1-10(2,3)20-9(18)16(4)6-7-21(5,19)15-8(17)11(12,13)14/h6-7H2,1-5H3
InChIKeyIRZKBGRTEQGAOB-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate

tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate (PubChem CID 166891909) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate
PubChem CID166891909
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Nametert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate
SMILESCN(CCS(C)(=O)=NC(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19F3N2O4S/c1-10(2,3)20-9(18)16(4)6-7-21(5,19)15-8(17)11(12,13)14/h6-7H2,1-5H3
InChIKeyIRZKBGRTEQGAOB-UHFFFAOYSA-N
XLogP2.04
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23061773
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tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
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tert-butyl N-(2-ethylsulfanylethyl)-N-methylcarbamate
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tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
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tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
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CID 87572620

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate (CID 166891909) is tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate is CN(CCS(C)(=O)=NC(=O)C(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate?
The InChIKey is IRZKBGRTEQGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-10(2,3)20-9(18)16(4)6-7-21(5,19)15-8(17)11(12,13)14/h6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate has a molecular weight of 332.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[S-methyl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]ethyl]carbamate is sourced from PubChem (CID 166891909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).