3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide

C9H16FNO2S — CID 178125667

IUPAC3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
SMILESCC1CCN(C2CS(=O)(=O)C2)CC1F
InChIInChI=1S/C9H16FNO2S/c1-7-2-3-11(4-9(7)10)8-5-14(12,13)6-8/h7-9H,2-6H2,1H3
InChIKeyWWYWMSUGWYXGFP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.46
Rot. Bonds1

About 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide

3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide (PubChem CID 178125667) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
PubChem CID178125667
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
SMILESCC1CCN(C2CS(=O)(=O)C2)CC1F
InChIInChI=1S/C9H16FNO2S/c1-7-2-3-11(4-9(7)10)8-5-14(12,13)6-8/h7-9H,2-6H2,1H3
InChIKeyWWYWMSUGWYXGFP-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide?
The IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide (CID 178125667) is 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide?
The canonical SMILES for 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide is CC1CCN(C2CS(=O)(=O)C2)CC1F.
What is the InChIKey of 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide?
The InChIKey is WWYWMSUGWYXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c1-7-2-3-11(4-9(7)10)8-5-14(12,13)6-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide?
3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide has a molecular weight of 221.30 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide is sourced from PubChem (CID 178125667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).