4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine

C11H22FNO2S — CID 106735910

IUPAC4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine
SMILESCC(C)S(=O)(=O)CCC(F)C1CCNCC1
InChIInChI=1S/C11H22FNO2S/c1-9(2)16(14,15)8-5-11(12)10-3-6-13-7-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyDQESZQOLTPBRNZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.54
Rot. Bonds5

About 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine

4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine (PubChem CID 106735910) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine.

Molecular Properties

Compound Name4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine
PubChem CID106735910
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine
SMILESCC(C)S(=O)(=O)CCC(F)C1CCNCC1
InChIInChI=1S/C11H22FNO2S/c1-9(2)16(14,15)8-5-11(12)10-3-6-13-7-4-10/h9-11,13H,3-8H2,1-2H3
InChIKeyDQESZQOLTPBRNZ-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.54
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
2Lambda6-thia-7-azaspiro(4.5)decane-2,2-dione hydrochloride
CID 121552800
2,2-Diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75478254
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
4-(Propane-2-sulfonyl)piperidine
CID 57231271
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
4-(4-fluoro-4-methylcyclohexyl)sulfonyl-N-methylbutan-1-amine
CID 144300293

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
The IUPAC name of 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine (CID 106735910) is 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine.
What is the SMILES notation for 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
The canonical SMILES for 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine is CC(C)S(=O)(=O)CCC(F)C1CCNCC1.
What is the InChIKey of 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
The InChIKey is DQESZQOLTPBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-9(2)16(14,15)8-5-11(12)10-3-6-13-7-4-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine?
4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-3-propan-2-ylsulfonylpropyl)piperidine is sourced from PubChem (CID 106735910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).