3-fluoro-1-methylsulfinylpyrrolidine;methanamine

C6H15FN2OS — CID 167493542

IUPAC3-fluoro-1-methylsulfinylpyrrolidine;methanamine
SMILESCN.CS(=O)N1CCC(F)C1
InChIInChI=1S/C5H10FNOS.CH5N/c1-9(8)7-3-2-5(6)4-7;1-2/h5H,2-4H2,1H3;2H2,1H3
InChIKeyIOQAMNIPTOUEPJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP-0.10
Rot. Bonds1

About 3-fluoro-1-methylsulfinylpyrrolidine;methanamine

3-fluoro-1-methylsulfinylpyrrolidine;methanamine (PubChem CID 167493542) has the molecular formula C6H15FN2OS and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-fluoro-1-methylsulfinylpyrrolidine;methanamine.

Molecular Properties

Compound Name3-fluoro-1-methylsulfinylpyrrolidine;methanamine
PubChem CID167493542
Molecular FormulaC6H15FN2OS
Molecular Weight182.26 g/mol
Exact Mass182.09
IUPAC Name3-fluoro-1-methylsulfinylpyrrolidine;methanamine
SMILESCN.CS(=O)N1CCC(F)C1
InChIInChI=1S/C5H10FNOS.CH5N/c1-9(8)7-3-2-5(6)4-7;1-2/h5H,2-4H2,1H3;2H2,1H3
InChIKeyIOQAMNIPTOUEPJ-UHFFFAOYSA-N
XLogP-0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylsulfinylpyrrolidine;methanamine?
The IUPAC name of 3-fluoro-1-methylsulfinylpyrrolidine;methanamine (CID 167493542) is 3-fluoro-1-methylsulfinylpyrrolidine;methanamine.
What is the SMILES notation for 3-fluoro-1-methylsulfinylpyrrolidine;methanamine?
The canonical SMILES for 3-fluoro-1-methylsulfinylpyrrolidine;methanamine is CN.CS(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-methylsulfinylpyrrolidine;methanamine?
The InChIKey is IOQAMNIPTOUEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNOS.CH5N/c1-9(8)7-3-2-5(6)4-7;1-2/h5H,2-4H2,1H3;2H2,1H3.
What are the key properties of 3-fluoro-1-methylsulfinylpyrrolidine;methanamine?
3-fluoro-1-methylsulfinylpyrrolidine;methanamine has a molecular weight of 182.26 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylsulfinylpyrrolidine;methanamine is sourced from PubChem (CID 167493542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).