3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide

C12H22FNO2S — CID 178125166

IUPAC3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
SMILESCC(C)C1CCN(C2(C)CS(=O)(=O)C2)CC1F
InChIInChI=1S/C12H22FNO2S/c1-9(2)10-4-5-14(6-11(10)13)12(3)7-17(15,16)8-12/h9-11H,4-8H2,1-3H3
InChIKeyFVGRKCYTOPIPAR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.49
Rot. Bonds2

About 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide

3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide (PubChem CID 178125166) has the molecular formula C12H22FNO2S and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
PubChem CID178125166
Molecular FormulaC12H22FNO2S
Molecular Weight263.38 g/mol
Exact Mass263.14
IUPAC Name3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
SMILESCC(C)C1CCN(C2(C)CS(=O)(=O)C2)CC1F
InChIInChI=1S/C12H22FNO2S/c1-9(2)10-4-5-14(6-11(10)13)12(3)7-17(15,16)8-12/h9-11H,4-8H2,1-3H3
InChIKeyFVGRKCYTOPIPAR-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine
CID 147954141
3-(3-Fluoro-4-methylpiperidin-1-yl)-1,1-dioxothietane-3-carbonitrile
CID 178125333
3-(3-Fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125547
3-(3-Fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125667
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125875
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-1,1-dioxothietane-3-carbonitrile
CID 178125221
1,1,3-Trimethyl-5-(methylsulfonylmethyl)piperidin-1-ium
CID 20632595
1-(2-Methylsulfonylethyl)-4-propan-2-ylpiperidine
CID 20811843
4-(Methylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 58076203
1-Tert-butyl-4-(methylsulfonylmethyl)piperidine
CID 59468988
1-(2-Ethylsulfonylethyl)-4-propan-2-ylpiperidine
CID 59761676
1-Methyl-4-(methylsulfonylmethyl)piperidine
CID 60002585

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
The IUPAC name of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide (CID 178125166) is 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
The canonical SMILES for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide is CC(C)C1CCN(C2(C)CS(=O)(=O)C2)CC1F.
What is the InChIKey of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
The InChIKey is FVGRKCYTOPIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2S/c1-9(2)10-4-5-14(6-11(10)13)12(3)7-17(15,16)8-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide?
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide has a molecular weight of 263.38 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide is sourced from PubChem (CID 178125166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).