2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine

C12H24FNO2S — CID 106735977

IUPAC2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine
SMILESCCS(=O)(=O)CCC(C)(F)CC1CCCCN1
InChIInChI=1S/C12H24FNO2S/c1-3-17(15,16)9-7-12(2,13)10-11-6-4-5-8-14-11/h11,14H,3-10H2,1-2H3
InChIKeyKVXLAUXTSZMPEC-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine

2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine (PubChem CID 106735977) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine.

Molecular Properties

Compound Name2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine
PubChem CID106735977
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine
SMILESCCS(=O)(=O)CCC(C)(F)CC1CCCCN1
InChIInChI=1S/C12H24FNO2S/c1-3-17(15,16)9-7-12(2,13)10-11-6-4-5-8-14-11/h11,14H,3-10H2,1-2H3
InChIKeyKVXLAUXTSZMPEC-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide
CID 71755714
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-4-pentylpiperidin-3-amine
CID 156281119
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylpropan-1-amine
CID 80061844
N-ethyl-3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80062024
N-ethyl-4,4,4-trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80072074
4,4,4-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylbutan-1-amine
CID 80077585
4-[1-(2-Fluoroethylsulfonyl)ethyl]piperidine
CID 84020121
2-[2-(Fluoromethylsulfonyl)ethyl]piperidine
CID 84722923
3-[2-(Fluoromethylsulfonyl)ethyl]piperidine
CID 84722924

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine?
The IUPAC name of 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine (CID 106735977) is 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine.
What is the SMILES notation for 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine?
The canonical SMILES for 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine is CCS(=O)(=O)CCC(C)(F)CC1CCCCN1.
What is the InChIKey of 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine?
The InChIKey is KVXLAUXTSZMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-3-17(15,16)9-7-12(2,13)10-11-6-4-5-8-14-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine?
2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine has a molecular weight of 265.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonyl-2-fluoro-2-methylbutyl)piperidine is sourced from PubChem (CID 106735977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).