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

C10H18FNO2S — CID 178125547

IUPAC3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
SMILESCC1CCN(C2(C)CS(=O)(=O)C2)CC1F
InChIInChI=1S/C10H18FNO2S/c1-8-3-4-12(5-9(8)11)10(2)6-15(13,14)7-10/h8-9H,3-7H2,1-2H3
InChIKeyJCHAHMRNPHOJCF-UHFFFAOYSA-N
MW235.32 g/mol
LogP0.85
Rot. Bonds1

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

3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide (PubChem CID 178125547) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
PubChem CID178125547
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Name3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
SMILESCC1CCN(C2(C)CS(=O)(=O)C2)CC1F
InChIInChI=1S/C10H18FNO2S/c1-8-3-4-12(5-9(8)11)10(2)6-15(13,14)7-10/h8-9H,3-7H2,1-2H3
InChIKeyJCHAHMRNPHOJCF-UHFFFAOYSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.85
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)-3-methylthietane 1,1-dioxide?
The IUPAC name of 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide (CID 178125547) is 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
The canonical SMILES for 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide is CC1CCN(C2(C)CS(=O)(=O)C2)CC1F.
What is the InChIKey of 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
The InChIKey is JCHAHMRNPHOJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2S/c1-8-3-4-12(5-9(8)11)10(2)6-15(13,14)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
3-(3-fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide has a molecular weight of 235.32 g/mol, XLogP of 0.85, 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)-3-methylthietane 1,1-dioxide is sourced from PubChem (CID 178125547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).