N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)

C5H13F6N3O4S2 — CID 87669612

IUPACN,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)
SMILESCN(C)C.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H9N.2CH2F3NO2S/c1-4(2)3;2*2-1(3,4)8(5,6)7/h1-3H3;2*(H2,5,6,7)
InChIKeyPIEDKGFMXMQHKO-UHFFFAOYSA-N
MW357.30 g/mol
LogP-0.23
Rot. Bonds

About N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)

N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide) (PubChem CID 87669612) has the molecular formula C5H13F6N3O4S2 and a molecular weight of 357.30 g/mol. Its IUPAC name is N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide).

Molecular Properties

Compound NameN,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)
PubChem CID87669612
Molecular FormulaC5H13F6N3O4S2
Molecular Weight357.30 g/mol
Exact Mass357.03
IUPAC NameN,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)
SMILESCN(C)C.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H9N.2CH2F3NO2S/c1-4(2)3;2*2-1(3,4)8(5,6)7/h1-3H3;2*(H2,5,6,7)
InChIKeyPIEDKGFMXMQHKO-UHFFFAOYSA-N
XLogP-0.23
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)?
The IUPAC name of N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide) (CID 87669612) is N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide).
What is the SMILES notation for N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)?
The canonical SMILES for N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide) is CN(C)C.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)?
The InChIKey is PIEDKGFMXMQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.2CH2F3NO2S/c1-4(2)3;2*2-1(3,4)8(5,6)7/h1-3H3;2*(H2,5,6,7).
What are the key properties of N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide)?
N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide) has a molecular weight of 357.30 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;bis(trifluoromethanesulfonamide) is sourced from PubChem (CID 87669612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).