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

C7H13F6NO4S3 — CID 134716307

IUPACN-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCS(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F6NO4S3/c1-4-5-19(2,3)14(20(15,16)6(8,9)10)21(17,18)7(11,12)13/h4-5H2,1-3H3
InChIKeySJVJHOQASPOSKF-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.38
Rot. Bonds5

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

N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134716307) has the molecular formula C7H13F6NO4S3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134716307
Molecular FormulaC7H13F6NO4S3
Molecular Weight385.37 g/mol
Exact Mass384.99
IUPAC NameN-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCS(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F6NO4S3/c1-4-5-19(2,3)14(20(15,16)6(8,9)10)21(17,18)7(11,12)13/h4-5H2,1-3H3
InChIKeySJVJHOQASPOSKF-UHFFFAOYSA-N
XLogP2.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.38
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-Bis(trifluoromethylsulfonyl)propane
CID 53834884
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
Dimethylethylsulfonium bis(trifluoromethylsulfonyl)imide
CID 134716288
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

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134716307) is N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCS(C)(C)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is SJVJHOQASPOSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F6NO4S3/c1-4-5-19(2,3)14(20(15,16)6(8,9)10)21(17,18)7(11,12)13/h4-5H2,1-3H3.
What are the key properties of N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 385.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(propyl)-λ4-sulfanyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134716307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).