N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide

C10H14F3N3O2S2 — CID 138022581

IUPACN-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H14F3N3O2S2/c1-20(17,18)15-7-2-3-16(4-7)5-8-6-19-9(14-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyXXFCFUDLMJEBDG-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.29
Rot. Bonds4

About N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 138022581) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID138022581
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC NameN-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2csc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H14F3N3O2S2/c1-20(17,18)15-7-2-3-16(4-7)5-8-6-19-9(14-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyXXFCFUDLMJEBDG-UHFFFAOYSA-N
XLogP1.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide (CID 138022581) is N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2csc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is XXFCFUDLMJEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c1-20(17,18)15-7-2-3-16(4-7)5-8-6-19-9(14-8)10(11,12)13/h6-7,15H,2-5H2,1H3.
What are the key properties of N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 329.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 138022581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).