2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

C7H10F3NOS — CID 106212665

IUPAC2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(S)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NOS/c1-4(13)5(12)11-6(2-3-6)7(8,9)10/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyMETWHBGYLWFIDG-UHFFFAOYSA-N
MW213.22 g/mol
LogP1.52
Rot. Bonds2

About 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106212665) has the molecular formula C7H10F3NOS and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106212665
Molecular FormulaC7H10F3NOS
Molecular Weight213.22 g/mol
Exact Mass213.04
IUPAC Name2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(S)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NOS/c1-4(13)5(12)11-6(2-3-6)7(8,9)10/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyMETWHBGYLWFIDG-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide 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 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106212665) is 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is CC(S)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is METWHBGYLWFIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NOS/c1-4(13)5(12)11-6(2-3-6)7(8,9)10/h4,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 213.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106212665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).