(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine

C15H21FN2O3S — CID 129422834

IUPAC(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine
SMILESCN1OC[C@H](S(=O)(=O)N2CCCCC2)[C@H]1c1ccccc1F
InChIInChI=1S/C15H21FN2O3S/c1-17-15(12-7-3-4-8-13(12)16)14(11-21-17)22(19,20)18-9-5-2-6-10-18/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3/t14-,15+/m0/s1
InChIKeyJEXJSRQYHDCJHL-LSDHHAIUSA-N
MW328.41 g/mol
LogP1.93
Rot. Bonds3

About (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine

(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine (PubChem CID 129422834) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine
PubChem CID129422834
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine
SMILESCN1OC[C@H](S(=O)(=O)N2CCCCC2)[C@H]1c1ccccc1F
InChIInChI=1S/C15H21FN2O3S/c1-17-15(12-7-3-4-8-13(12)16)14(11-21-17)22(19,20)18-9-5-2-6-10-18/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3/t14-,15+/m0/s1
InChIKeyJEXJSRQYHDCJHL-LSDHHAIUSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine?
The IUPAC name of (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine (CID 129422834) is (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine.
What is the SMILES notation for (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine?
The canonical SMILES for (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine is CN1OC[C@H](S(=O)(=O)N2CCCCC2)[C@H]1c1ccccc1F.
What is the InChIKey of (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine?
The InChIKey is JEXJSRQYHDCJHL-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-17-15(12-7-3-4-8-13(12)16)14(11-21-17)22(19,20)18-9-5-2-6-10-18/h3-4,7-8,14-15H,2,5-6,9-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine?
(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine has a molecular weight of 328.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine is sourced from PubChem (CID 129422834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).