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

C11H20FNO2S — CID 178125875

IUPAC3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
SMILESCC(C)C1CCN(C2CS(=O)(=O)C2)CC1F
InChIInChI=1S/C11H20FNO2S/c1-8(2)10-3-4-13(5-11(10)12)9-6-16(14,15)7-9/h8-11H,3-7H2,1-2H3
InChIKeyDOVFKNBQELGVPW-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.10
Rot. Bonds2

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

3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide (PubChem CID 178125875) has the molecular formula C11H20FNO2S and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
PubChem CID178125875
Molecular FormulaC11H20FNO2S
Molecular Weight249.35 g/mol
Exact Mass249.12
IUPAC Name3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
SMILESCC(C)C1CCN(C2CS(=O)(=O)C2)CC1F
InChIInChI=1S/C11H20FNO2S/c1-8(2)10-3-4-13(5-11(10)12)9-6-16(14,15)7-9/h8-11H,3-7H2,1-2H3
InChIKeyDOVFKNBQELGVPW-UHFFFAOYSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
8-(Fluoromethyl)-2-propan-2-yl-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 168104689
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125166
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
1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857
2-(1-Methylpiperidin-4-yl)propane-1-sulfonyl fluoride
CID 115034077
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-1,1-dioxothietane-3-carbonitrile
CID 178125221
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
2-[1-(3,4-Dimethylpiperidin-1-yl)ethyl]pentane-1-sulfinate
CID 18965279
1-(2-Methylsulfonylethyl)-4-propylpiperidine
CID 20767699
4-(2-Methylpropyl)-1-(2-methylsulfonylethyl)piperidine
CID 20811833

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
The IUPAC name of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide (CID 178125875) is 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
The canonical SMILES for 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide is CC(C)C1CCN(C2CS(=O)(=O)C2)CC1F.
What is the InChIKey of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
The InChIKey is DOVFKNBQELGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2S/c1-8(2)10-3-4-13(5-11(10)12)9-6-16(14,15)7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide has a molecular weight of 249.35 g/mol, XLogP of 1.10, 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)thietane 1,1-dioxide is sourced from PubChem (CID 178125875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).