N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide

C12H20F3N3O2S — CID 136540368

IUPACN,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide
SMILESCN(Cc1nccn1CC(F)(F)F)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C12H20F3N3O2S/c1-11(2,3)9-21(19,20)17(4)7-10-16-5-6-18(10)8-12(13,14)15/h5-6H,7-9H2,1-4H3
InChIKeyFKXDNSNNXIIZHW-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.25
Rot. Bonds5

About N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide

N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide (PubChem CID 136540368) has the molecular formula C12H20F3N3O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide
PubChem CID136540368
Molecular FormulaC12H20F3N3O2S
Molecular Weight327.37 g/mol
Exact Mass327.12
IUPAC NameN,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide
SMILESCN(Cc1nccn1CC(F)(F)F)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C12H20F3N3O2S/c1-11(2,3)9-21(19,20)17(4)7-10-16-5-6-18(10)8-12(13,14)15/h5-6H,7-9H2,1-4H3
InChIKeyFKXDNSNNXIIZHW-UHFFFAOYSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide with MolForge

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Related Compounds

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11750474
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11258643
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 11731903
1-Butyl-3-methylimidazolium trifluoromethanesulfonate
CID 2734246
1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate
CID 2734247
1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate
CID 2734250
1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12040508
1-Ethyl-2,3-dimethylimidazolium triflate
CID 16210995
1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 21932259
1-Butyl-3-methylimidazolium methanesulfonate
CID 11492381

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide (CID 136540368) is N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide is CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is FKXDNSNNXIIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2S/c1-11(2,3)9-21(19,20)17(4)7-10-16-5-6-18(10)8-12(13,14)15/h5-6H,7-9H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide?
N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 327.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 136540368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).