2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride

C10H20FNO2S — CID 138659398

IUPAC2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
SMILESCC(C)C1CCN(CCS(=O)(=O)F)CC1
InChIInChI=1S/C10H20FNO2S/c1-9(2)10-3-5-12(6-4-10)7-8-15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyMUDCDIPGOUUEOT-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride

2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride (PubChem CID 138659398) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
PubChem CID138659398
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
SMILESCC(C)C1CCN(CCS(=O)(=O)F)CC1
InChIInChI=1S/C10H20FNO2S/c1-9(2)10-3-5-12(6-4-10)7-8-15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyMUDCDIPGOUUEOT-UHFFFAOYSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride (CID 138659398) is 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride is CC(C)C1CCN(CCS(=O)(=O)F)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride?
The InChIKey is MUDCDIPGOUUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-9(2)10-3-5-12(6-4-10)7-8-15(11,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride?
2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride has a molecular weight of 237.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 138659398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).