pyrrolidine;trifluoromethanesulfonamide

C5H11F3N2O2S — CID 66808720

IUPACpyrrolidine;trifluoromethanesulfonamide
SMILESC1CCNC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9N.CH2F3NO2S/c1-2-4-5-3-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H2,5,6,7)
InChIKeyNADONWOEFPKFQJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.16
Rot. Bonds

About pyrrolidine;trifluoromethanesulfonamide

pyrrolidine;trifluoromethanesulfonamide (PubChem CID 66808720) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is pyrrolidine;trifluoromethanesulfonamide.

Molecular Properties

Compound Namepyrrolidine;trifluoromethanesulfonamide
PubChem CID66808720
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Namepyrrolidine;trifluoromethanesulfonamide
SMILESC1CCNC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9N.CH2F3NO2S/c1-2-4-5-3-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H2,5,6,7)
InChIKeyNADONWOEFPKFQJ-UHFFFAOYSA-N
XLogP0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
CID 11368252
(R)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 70700475
1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 53412406
1-[(Trifluoromethyl)sulfonyl]pyrrolidine
CID 53837543
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
Trifluoromethanesulfonic acid--(pyrrolidin-1-yl)acetonitrile (1/1)
CID 71306280
Methylpyrrolidinium trifluoromethanesulfonate
CID 87178006
Methylpyrrolidinium bistriflimide
CID 87600687
Pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 129707856
N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 129858811
1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide
CID 134991525

Frequently Asked Questions

What is the IUPAC name of pyrrolidine;trifluoromethanesulfonamide?
The IUPAC name of pyrrolidine;trifluoromethanesulfonamide (CID 66808720) is pyrrolidine;trifluoromethanesulfonamide.
What is the SMILES notation for pyrrolidine;trifluoromethanesulfonamide?
The canonical SMILES for pyrrolidine;trifluoromethanesulfonamide is C1CCNC1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of pyrrolidine;trifluoromethanesulfonamide?
The InChIKey is NADONWOEFPKFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.CH2F3NO2S/c1-2-4-5-3-1;2-1(3,4)8(5,6)7/h5H,1-4H2;(H2,5,6,7).
What are the key properties of pyrrolidine;trifluoromethanesulfonamide?
pyrrolidine;trifluoromethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;trifluoromethanesulfonamide is sourced from PubChem (CID 66808720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).