N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2O3S — CID 63708947

IUPACN-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)10(3-4-15-7-10)9(17)16-8-1-5-20(18,19)6-2-8/h8,15H,1-7H2,(H,16,17)
InChIKeyWUUHCLVPETUCRZ-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.22
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708947) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708947
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC NameN-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)10(3-4-15-7-10)9(17)16-8-1-5-20(18,19)6-2-8/h8,15H,1-7H2,(H,16,17)
InChIKeyWUUHCLVPETUCRZ-UHFFFAOYSA-N
XLogP0.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-4-yl)-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

Related Compounds

(1,1-Dioxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 55227455
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227641
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708604
N-(3-sulfamoylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708620
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708959
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709140
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709311
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709470
(1-Oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709678
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710059
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63923143
(3-Methylthiomorpholin-4-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 64053450

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708947) is N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CCS(=O)(=O)CC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WUUHCLVPETUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c12-11(13,14)10(3-4-15-7-10)9(17)16-8-1-5-20(18,19)6-2-8/h8,15H,1-7H2,(H,16,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).