N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H17F3N2OS — CID 106427350

IUPACN-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCSCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2OS/c1-2-6-18-7-5-16-9(17)10(11(12,13)14)3-4-15-8-10/h2,15H,1,3-8H2,(H,16,17)
InChIKeyUYGARAIOUNNQMF-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.56
Rot. Bonds6

About N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106427350) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106427350
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC=CCSCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2OS/c1-2-6-18-7-5-16-9(17)10(11(12,13)14)3-4-15-8-10/h2,15H,1,3-8H2,(H,16,17)
InChIKeyUYGARAIOUNNQMF-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-prop-2-enylsulfanylethyl)-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

N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 114467822
N-[3-(diethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708215
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-[2-(1H-imidazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65232052
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106427350) is N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C=CCSCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is UYGARAIOUNNQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-2-6-18-7-5-16-9(17)10(11(12,13)14)3-4-15-8-10/h2,15H,1,3-8H2,(H,16,17).
What are the key properties of N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106427350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).