(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine

C10H20FNO2S — CID 171581880

IUPAC(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
SMILESCC(C)(C)[C@H]1CCN(S(C)(=O)=O)C[C@H]1F
InChIInChI=1S/C10H20FNO2S/c1-10(2,3)8-5-6-12(7-9(8)11)15(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyGHQZLVFDEFUNQU-DTWKUNHWSA-N
MW237.34 g/mol
LogP1.65
Rot. Bonds1

About (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine

(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine (PubChem CID 171581880) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
PubChem CID171581880
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine
SMILESCC(C)(C)[C@H]1CCN(S(C)(=O)=O)C[C@H]1F
InChIInChI=1S/C10H20FNO2S/c1-10(2,3)8-5-6-12(7-9(8)11)15(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyGHQZLVFDEFUNQU-DTWKUNHWSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine?
The IUPAC name of (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine (CID 171581880) is (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine.
What is the SMILES notation for (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine?
The canonical SMILES for (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine is CC(C)(C)[C@H]1CCN(S(C)(=O)=O)C[C@H]1F.
What is the InChIKey of (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine?
The InChIKey is GHQZLVFDEFUNQU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-10(2,3)8-5-6-12(7-9(8)11)15(4,13)14/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine?
(3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine has a molecular weight of 237.34 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-tert-butyl-3-fluoro-1-methylsulfonylpiperidine is sourced from PubChem (CID 171581880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).