(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide

C15H21FN2O3S — CID 124889925

IUPAC(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](CN2CCC[C@H](Oc3ncccc3F)C2)C1
InChIInChI=1S/C15H21FN2O3S/c16-14-4-1-6-17-15(14)21-13-3-2-7-18(10-13)9-12-5-8-22(19,20)11-12/h1,4,6,12-13H,2-3,5,7-11H2/t12-,13+/m1/s1
InChIKeyKUVARUFQTKTKEC-OLZOCXBDSA-N
MW328.41 g/mol
LogP1.50
Rot. Bonds4

About (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide

(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide (PubChem CID 124889925) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
PubChem CID124889925
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H](CN2CCC[C@H](Oc3ncccc3F)C2)C1
InChIInChI=1S/C15H21FN2O3S/c16-14-4-1-6-17-15(14)21-13-3-2-7-18(10-13)9-12-5-8-22(19,20)11-12/h1,4,6,12-13H,2-3,5,7-11H2/t12-,13+/m1/s1
InChIKeyKUVARUFQTKTKEC-OLZOCXBDSA-N
XLogP1.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide (CID 124889925) is (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide is O=S1(=O)CC[C@H](CN2CCC[C@H](Oc3ncccc3F)C2)C1.
What is the InChIKey of (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is KUVARUFQTKTKEC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-14-4-1-6-17-15(14)21-13-3-2-7-18(10-13)9-12-5-8-22(19,20)11-12/h1,4,6,12-13H,2-3,5,7-11H2/t12-,13+/m1/s1.
What are the key properties of (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide?
(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 328.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 124889925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).