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

C10H17F3N2OS — CID 63958651

IUPACN-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCSCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2OS/c1-17-6-2-4-15-8(16)9(10(11,12)13)3-5-14-7-9/h14H,2-7H2,1H3,(H,15,16)
InChIKeyGBUZJFGFQLNMEW-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.40
Rot. Bonds5

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

N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63958651) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63958651
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC NameN-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCSCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2OS/c1-17-6-2-4-15-8(16)9(10(11,12)13)3-5-14-7-9/h14H,2-7H2,1H3,(H,15,16)
InChIKeyGBUZJFGFQLNMEW-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfanylpropyl)-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-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63958651) is N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CSCCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GBUZJFGFQLNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-17-6-2-4-15-8(16)9(10(11,12)13)3-5-14-7-9/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63958651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).