3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine

C11H22FNO2S — CID 106735897

IUPAC3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CCCNC1
InChIInChI=1S/C11H22FNO2S/c1-10(2,3)16(14,15)8-6-11(12)5-4-7-13-9-11/h13H,4-9H2,1-3H3
InChIKeyBYCJCHQFJAJLDI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.68
Rot. Bonds3

About 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine

3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine (PubChem CID 106735897) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine
PubChem CID106735897
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine
SMILESCC(C)(C)S(=O)(=O)CCC1(F)CCCNC1
InChIInChI=1S/C11H22FNO2S/c1-10(2,3)16(14,15)8-6-11(12)5-4-7-13-9-11/h13H,4-9H2,1-3H3
InChIKeyBYCJCHQFJAJLDI-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.68
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
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
4-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 66649711
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
2Lambda6-thia-7-azaspiro(4.5)decane-2,2-dione hydrochloride
CID 121552800
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
4-(Methanesulfonylmethyl)-4-methylpiperidine hydrochloride
CID 137935311
6lambda6-Thia-9-azaspiro[4.5]decane-6,6-dione hydrochloride
CID 165913416
2-Methanesulfonyl-7-azaspiro[3.5]nonane hydrochloride
CID 170915103
4-((Methylsulfonyl)methyl)piperidine
CID 22275402
4-(Propane-1-sulfonyl)piperidine
CID 54059246

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine?
The IUPAC name of 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine (CID 106735897) is 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine?
The canonical SMILES for 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine is CC(C)(C)S(=O)(=O)CCC1(F)CCCNC1.
What is the InChIKey of 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine?
The InChIKey is BYCJCHQFJAJLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-10(2,3)16(14,15)8-6-11(12)5-4-7-13-9-11/h13H,4-9H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine?
3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine has a molecular weight of 251.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylethyl)-3-fluoropiperidine is sourced from PubChem (CID 106735897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).