S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine

C4H8F2N2S — CID 166169033

IUPACS-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine
SMILESNSN1CCC(F)(F)C1
InChIInChI=1S/C4H8F2N2S/c5-4(6)1-2-8(3-4)9-7/h1-3,7H2
InChIKeyPYQGOMTVSQXCAS-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.85
Rot. Bonds1

About S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine

S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine (PubChem CID 166169033) has the molecular formula C4H8F2N2S and a molecular weight of 154.19 g/mol. Its IUPAC name is S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine
PubChem CID166169033
Molecular FormulaC4H8F2N2S
Molecular Weight154.19 g/mol
Exact Mass154.04
IUPAC NameS-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine
SMILESNSN1CCC(F)(F)C1
InChIInChI=1S/C4H8F2N2S/c5-4(6)1-2-8(3-4)9-7/h1-3,7H2
InChIKeyPYQGOMTVSQXCAS-UHFFFAOYSA-N
XLogP0.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine 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 S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine?
The IUPAC name of S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine (CID 166169033) is S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine.
What is the SMILES notation for S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine?
The canonical SMILES for S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine is NSN1CCC(F)(F)C1.
What is the InChIKey of S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine?
The InChIKey is PYQGOMTVSQXCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2S/c5-4(6)1-2-8(3-4)9-7/h1-3,7H2.
What are the key properties of S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine?
S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine has a molecular weight of 154.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3,3-difluoropyrrolidin-1-yl)thiohydroxylamine is sourced from PubChem (CID 166169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).