2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide

C12H14F3NO2S — CID 102442189

IUPAC2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
SMILESCC(C)(C)C(=O)N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c1-11(2,3)10(17)16-19(18,12(13,14)15)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyVOLMPZNOSSFPCI-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.61
Rot. Bonds1

About 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide

2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide (PubChem CID 102442189) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
PubChem CID102442189
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
SMILESCC(C)(C)C(=O)N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c1-11(2,3)10(17)16-19(18,12(13,14)15)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyVOLMPZNOSSFPCI-UHFFFAOYSA-N
XLogP3.61
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]urea
CID 102442198
ethane;trifluoromethylsulfonylbenzene
CID 144556552
tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
CID 146029337
N-[[dichloro(fluoro)methyl]-oxo-phenyl-λ6-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
CID 56590770
2,2-dimethyl-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)propanamide
CID 125498117
N-(methyl-oxo-phenyl-λ6-sulfanylidene)acetamide
CID 12033157
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 126835818
[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 132548452
tert-butyl N-[(2S)-1,1-bis(benzenesulfonyl)-1-fluoro-3-methylbutan-2-yl]carbamate
CID 102082029
[dimethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 12977680

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide?
The IUPAC name of 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide (CID 102442189) is 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide is CC(C)(C)C(=O)N=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide?
The InChIKey is VOLMPZNOSSFPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-11(2,3)10(17)16-19(18,12(13,14)15)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide?
2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide has a molecular weight of 293.31 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide is sourced from PubChem (CID 102442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).