2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide

C13H19FN2OS — CID 167963266

IUPAC2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide
SMILESCN1CCC(N(C)S(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2OS/c1-15-9-7-11(8-10-15)16(2)18(17)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyRXODQNKLCJAANX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.87
Rot. Bonds3

About 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide (PubChem CID 167963266) has the molecular formula C13H19FN2OS and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide
PubChem CID167963266
Molecular FormulaC13H19FN2OS
Molecular Weight270.37 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide
SMILESCN1CCC(N(C)S(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H19FN2OS/c1-15-9-7-11(8-10-15)16(2)18(17)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyRXODQNKLCJAANX-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide?
The IUPAC name of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide (CID 167963266) is 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide is CN1CCC(N(C)S(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide?
The InChIKey is RXODQNKLCJAANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2OS/c1-15-9-7-11(8-10-15)16(2)18(17)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide?
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide has a molecular weight of 270.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfinamide is sourced from PubChem (CID 167963266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).