N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

C13H15F3N2O3S2 — CID 156602066

IUPACN-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1N(C(=O)c1ccc(C(F)(F)F)s1)C2
InChIInChI=1S/C13H15F3N2O3S2/c1-23(20,21)17-8-4-7-5-9(8)18(6-7)12(19)10-2-3-11(22-10)13(14,15)16/h2-3,7-9,17H,4-6H2,1H3
InChIKeyJDSQMBDTKDIVRQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.92
Rot. Bonds3

About N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide

N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide (PubChem CID 156602066) has the molecular formula C13H15F3N2O3S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
PubChem CID156602066
Molecular FormulaC13H15F3N2O3S2
Molecular Weight368.40 g/mol
Exact Mass368.05
IUPAC NameN-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2CC1N(C(=O)c1ccc(C(F)(F)F)s1)C2
InChIInChI=1S/C13H15F3N2O3S2/c1-23(20,21)17-8-4-7-5-9(8)18(6-7)12(19)10-2-3-11(22-10)13(14,15)16/h2-3,7-9,17H,4-6H2,1H3
InChIKeyJDSQMBDTKDIVRQ-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-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-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The IUPAC name of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide (CID 156602066) is N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide is CS(=O)(=O)NC1CC2CC1N(C(=O)c1ccc(C(F)(F)F)s1)C2.
What is the InChIKey of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
The InChIKey is JDSQMBDTKDIVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S2/c1-23(20,21)17-8-4-7-5-9(8)18(6-7)12(19)10-2-3-11(22-10)13(14,15)16/h2-3,7-9,17H,4-6H2,1H3.
What are the key properties of N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide?
N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide has a molecular weight of 368.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-6-yl]methanesulfonamide is sourced from PubChem (CID 156602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).