N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C6H11F6NO4S3 — CID 134716288

IUPACN-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCS(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F6NO4S3/c1-4-18(2,3)13(19(14,15)5(7,8)9)20(16,17)6(10,11)12/h4H2,1-3H3
InChIKeyKFVOFSQQIWZMCN-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.99
Rot. Bonds4

About N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134716288) has the molecular formula C6H11F6NO4S3 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134716288
Molecular FormulaC6H11F6NO4S3
Molecular Weight371.35 g/mol
Exact Mass370.98
IUPAC NameN-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCS(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H11F6NO4S3/c1-4-18(2,3)13(19(14,15)5(7,8)9)20(16,17)6(10,11)12/h4H2,1-3H3
InChIKeyKFVOFSQQIWZMCN-UHFFFAOYSA-N
XLogP1.99
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triethylsulfonium bis(trifluoromethanesulfonyl)imide
CID 16211135
Diethylmethylsulfonium bis(trifluoromethylsulfonyl)imide
CID 53316418
1,1,1-trifluoro-N-(triethyl-lambda4-sulfanyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 129773255
Diethylmethylsulphonium bis(trifluoromethanesulfonyl)imide
CID 129830261
Tributylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716463
Dimethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716307
Dimethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716326
Methylethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716327
Diethyl-1-propylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716352
Dimethyl-1-pentylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716353
Methylethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716356
Diethyl-1-butylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716378

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134716288) is N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCS(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is KFVOFSQQIWZMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F6NO4S3/c1-4-18(2,3)13(19(14,15)5(7,8)9)20(16,17)6(10,11)12/h4H2,1-3H3.
What are the key properties of N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 371.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(dimethyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134716288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).