(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane

C5H10F2N2OS — CID 172885137

IUPAC(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS/c1-11(8,10)9-3-2-5(6,7)4-9/h8H,2-4H2,1H3
InChIKeyTZDJYOMSWMHOMG-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.92
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane

(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 172885137) has the molecular formula C5H10F2N2OS and a molecular weight of 184.21 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane
PubChem CID172885137
Molecular FormulaC5H10F2N2OS
Molecular Weight184.21 g/mol
Exact Mass184.05
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS/c1-11(8,10)9-3-2-5(6,7)4-9/h8H,2-4H2,1H3
InChIKeyTZDJYOMSWMHOMG-UHFFFAOYSA-N
XLogP0.92
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane 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 (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane (CID 172885137) is (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is TZDJYOMSWMHOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2OS/c1-11(8,10)9-3-2-5(6,7)4-9/h8H,2-4H2,1H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 184.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 172885137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).