N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

C13H17F3N2O2S2 — CID 141147546

IUPACN-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CS1
InChIInChI=1S/C13H17F3N2O2S2/c1-12(2)8-18(9-21-12)7-10-5-3-4-6-11(10)17-22(19,20)13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyCCYSNGULSKAWNQ-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.23
Rot. Bonds4

About N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 141147546) has the molecular formula C13H17F3N2O2S2 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID141147546
Molecular FormulaC13H17F3N2O2S2
Molecular Weight354.42 g/mol
Exact Mass354.07
IUPAC NameN-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CS1
InChIInChI=1S/C13H17F3N2O2S2/c1-12(2)8-18(9-21-12)7-10-5-3-4-6-11(10)17-22(19,20)13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyCCYSNGULSKAWNQ-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 141147546) is N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC1(C)CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)CS1.
What is the InChIKey of N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is CCYSNGULSKAWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S2/c1-12(2)8-18(9-21-12)7-10-5-3-4-6-11(10)17-22(19,20)13(14,15)16/h3-6,17H,7-9H2,1-2H3.
What are the key properties of N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 354.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 141147546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).