N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C7H11F3N2O3S — CID 103287344

IUPACN-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-5(13)6(7(8,9)10)2-3-11-4-6/h11H,2-4H2,1H3,(H,12,13)
InChIKeyKZWOAYQYDMOAHT-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.40
Rot. Bonds2

About N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 103287344) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID103287344
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC NameN-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-5(13)6(7(8,9)10)2-3-11-4-6/h11H,2-4H2,1H3,(H,12,13)
InChIKeyKZWOAYQYDMOAHT-UHFFFAOYSA-N
XLogP-0.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide 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-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 103287344) is N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CS(=O)(=O)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KZWOAYQYDMOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-16(14,15)12-5(13)6(7(8,9)10)2-3-11-4-6/h11H,2-4H2,1H3,(H,12,13).
What are the key properties of N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 260.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103287344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).