tetradecylimino-bis(trifluoromethylsulfonyl)azanium

C16H29F6N2O4S2+ — CID 123991220

IUPACtetradecylimino-bis(trifluoromethylsulfonyl)azanium
SMILESCCCCCCCCCCCCCCN=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H29F6N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-24(29(25,26)15(17,18)19)30(27,28)16(20,21)22/h2-14H2,1H3/q+1
InChIKeyCCZKIJLVPZLESG-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.85
Rot. Bonds15

About tetradecylimino-bis(trifluoromethylsulfonyl)azanium

tetradecylimino-bis(trifluoromethylsulfonyl)azanium (PubChem CID 123991220) has the molecular formula C16H29F6N2O4S2+ and a molecular weight of 491.54 g/mol. Its IUPAC name is tetradecylimino-bis(trifluoromethylsulfonyl)azanium.

Molecular Properties

Compound Nametetradecylimino-bis(trifluoromethylsulfonyl)azanium
PubChem CID123991220
Molecular FormulaC16H29F6N2O4S2+
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC Nametetradecylimino-bis(trifluoromethylsulfonyl)azanium
SMILESCCCCCCCCCCCCCCN=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H29F6N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-24(29(25,26)15(17,18)19)30(27,28)16(20,21)22/h2-14H2,1H3/q+1
InChIKeyCCZKIJLVPZLESG-UHFFFAOYSA-N
XLogP5.85
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 121235739
1,1,1-trifluoro-N-octyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858947
N-[8-[bis(trifluoromethylsulfonyl)amino]octyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858948
1,1,1-trifluoro-N-hexadecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858970
Octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
N,N,N',N'-Tetrakis(trifluoromethylsulfonyl)dodecane-1,12-diamine
CID 121433236
1,1,1-trifluoro-N-tetradecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 130205328
N-[2-[bis(trifluoromethylsulfonyl)amino]dodecyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 130297779
Tetradecylammonium bis(trifluoromethanesulfonyl)imide
CID 131741979
N-[12-[bis(methylsulfonyl)amino]dodecyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 134238111
N-[12-[bis(trifluoromethylsulfonyl)amino]dodecyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
CID 134243970
Bis(trifluoromethylsulfonyl)azanide;dodecyl(trimethyl)azanium
CID 140254516

Frequently Asked Questions

What is the IUPAC name of tetradecylimino-bis(trifluoromethylsulfonyl)azanium?
The IUPAC name of tetradecylimino-bis(trifluoromethylsulfonyl)azanium (CID 123991220) is tetradecylimino-bis(trifluoromethylsulfonyl)azanium.
What is the SMILES notation for tetradecylimino-bis(trifluoromethylsulfonyl)azanium?
The canonical SMILES for tetradecylimino-bis(trifluoromethylsulfonyl)azanium is CCCCCCCCCCCCCCN=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of tetradecylimino-bis(trifluoromethylsulfonyl)azanium?
The InChIKey is CCZKIJLVPZLESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F6N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-24(29(25,26)15(17,18)19)30(27,28)16(20,21)22/h2-14H2,1H3/q+1.
What are the key properties of tetradecylimino-bis(trifluoromethylsulfonyl)azanium?
tetradecylimino-bis(trifluoromethylsulfonyl)azanium has a molecular weight of 491.54 g/mol, XLogP of 5.85, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylimino-bis(trifluoromethylsulfonyl)azanium is sourced from PubChem (CID 123991220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).