N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H10F3N3OS — CID 55227645

IUPACN-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccsc1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)10(2-3-16-6-10)9(18)17-8-7(5-15)1-4-19-8/h1,4,16H,2-3,6H2,(H,17,18)
InChIKeyOYLLWWMPPBDNNX-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.10
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227645) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227645
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccsc1NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)10(2-3-16-6-10)9(18)17-8-7(5-15)1-4-19-8/h1,4,16H,2-3,6H2,(H,17,18)
InChIKeyOYLLWWMPPBDNNX-UHFFFAOYSA-N
XLogP2.10
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanothiophen-2-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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227645) is N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is N#Cc1ccsc1NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is OYLLWWMPPBDNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)10(2-3-16-6-10)9(18)17-8-7(5-15)1-4-19-8/h1,4,16H,2-3,6H2,(H,17,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).