N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide

C4H7F3N2O2S — CID 12066207

IUPACN,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide
SMILESCN(C)/C=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O2S/c1-9(2)3-8-12(10,11)4(5,6)7/h3H,1-2H3/b8-3+
InChIKeyPLOKRSCVZMTFOQ-FPYGCLRLSA-N
MW204.17 g/mol
LogP0.43
Rot. Bonds2

About N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide

N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide (PubChem CID 12066207) has the molecular formula C4H7F3N2O2S and a molecular weight of 204.17 g/mol. Its IUPAC name is N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide
PubChem CID12066207
Molecular FormulaC4H7F3N2O2S
Molecular Weight204.17 g/mol
Exact Mass204.02
IUPAC NameN,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide
SMILESCN(C)/C=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O2S/c1-9(2)3-8-12(10,11)4(5,6)7/h3H,1-2H3/b8-3+
InChIKeyPLOKRSCVZMTFOQ-FPYGCLRLSA-N
XLogP0.43
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane
CID 159547919
N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
CID 139619639
N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 175127433
N'-(4-iodo-3,3-dimethylbutyl)sulfonyl-N,N-dimethylmethanimidamide
CID 10831413
N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide
CID 87434293
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
CID 165176417
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
CID 18954714
N-methyl-N-(trifluoromethyl)methanesulfonamide
CID 172820262
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
N,N-dimethylmethanamine;silicic acid;trifluoromethanesulfonic acid
CID 174409588
(NE)-N-[(2-bromophenyl)methylidene]-1,1,1-trifluoromethanesulfonamide
CID 177485422

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide (CID 12066207) is N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide is CN(C)/C=N/S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide?
The InChIKey is PLOKRSCVZMTFOQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C4H7F3N2O2S/c1-9(2)3-8-12(10,11)4(5,6)7/h3H,1-2H3/b8-3+.
What are the key properties of N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide?
N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide has a molecular weight of 204.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide is sourced from PubChem (CID 12066207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).