1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone

C10H19NO3S — CID 58356117

IUPAC1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15(13,14)11-6-4-10(5-7-11)9(3)12/h8,10H,4-7H2,1-3H3
InChIKeyPEYZILLZHRSCEF-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.03
Rot. Bonds3

About 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone

1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone (PubChem CID 58356117) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone
PubChem CID58356117
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)15(13,14)11-6-4-10(5-7-11)9(3)12/h8,10H,4-7H2,1-3H3
InChIKeyPEYZILLZHRSCEF-UHFFFAOYSA-N
XLogP1.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone (CID 58356117) is 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone is CC(=O)C1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone?
The InChIKey is PEYZILLZHRSCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)15(13,14)11-6-4-10(5-7-11)9(3)12/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone?
1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone has a molecular weight of 233.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylsulfonylpiperidin-4-yl)ethanone is sourced from PubChem (CID 58356117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).