N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H15F3N2O3S — CID 63709470

IUPACN-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O3S/c11-10(12,13)9(2-3-14-6-9)8(16)15-7-1-4-19(17,18)5-7/h7,14H,1-6H2,(H,15,16)
InChIKeyVRWZLTGWNMOCDX-UHFFFAOYSA-N
MW300.30 g/mol
LogP-0.17
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709470) has the molecular formula C10H15F3N2O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709470
Molecular FormulaC10H15F3N2O3S
Molecular Weight300.30 g/mol
Exact Mass300.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H15F3N2O3S/c11-10(12,13)9(2-3-14-6-9)8(16)15-7-1-4-19(17,18)5-7/h7,14H,1-6H2,(H,15,16)
InChIKeyVRWZLTGWNMOCDX-UHFFFAOYSA-N
XLogP-0.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-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-methyl-N-(thiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708756
N-(2-sulfamoylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708943
N-(1,1-dioxothian-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708947
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)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710059
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63923143

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709470) is N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VRWZLTGWNMOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S/c11-10(12,13)9(2-3-14-6-9)8(16)15-7-1-4-19(17,18)5-7/h7,14H,1-6H2,(H,15,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.30 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).