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

C13H15F3N2O3S2 — CID 69241052

IUPACN-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)S1
InChIInChI=1S/C13H15F3N2O3S2/c1-12(2)8-18(11(19)22-12)7-9-5-3-4-6-10(9)17-23(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyRULRFPYYBJRJIN-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.40
Rot. Bonds4

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

N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 69241052) has the molecular formula C13H15F3N2O3S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID69241052
Molecular FormulaC13H15F3N2O3S2
Molecular Weight368.40 g/mol
Exact Mass368.05
IUPAC NameN-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)S1
InChIInChI=1S/C13H15F3N2O3S2/c1-12(2)8-18(11(19)22-12)7-9-5-3-4-6-10(9)17-23(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyRULRFPYYBJRJIN-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 69241052) is N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC1(C)CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)S1.
What is the InChIKey of N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RULRFPYYBJRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S2/c1-12(2)8-18(11(19)22-12)7-9-5-3-4-6-10(9)17-23(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(5,5-dimethyl-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 368.40 g/mol, XLogP of 3.40, 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-2-oxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 69241052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).