1-propan-2-ylsulfonylpiperidin-4-one

C8H15NO3S — CID 18673825

IUPAC1-propan-2-ylsulfonylpiperidin-4-one
SMILESCC(C)S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
InChIKeyCQTOWLYOTAYJNX-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.39
Rot. Bonds2

About 1-propan-2-ylsulfonylpiperidin-4-one

1-propan-2-ylsulfonylpiperidin-4-one (PubChem CID 18673825) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-propan-2-ylsulfonylpiperidin-4-one
PubChem CID18673825
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-propan-2-ylsulfonylpiperidin-4-one
SMILESCC(C)S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C8H15NO3S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
InChIKeyCQTOWLYOTAYJNX-UHFFFAOYSA-N
XLogP0.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylpiperidin-4-one?
The IUPAC name of 1-propan-2-ylsulfonylpiperidin-4-one (CID 18673825) is 1-propan-2-ylsulfonylpiperidin-4-one.
What is the SMILES notation for 1-propan-2-ylsulfonylpiperidin-4-one?
The canonical SMILES for 1-propan-2-ylsulfonylpiperidin-4-one is CC(C)S(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-propan-2-ylsulfonylpiperidin-4-one?
The InChIKey is CQTOWLYOTAYJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylpiperidin-4-one?
1-propan-2-ylsulfonylpiperidin-4-one has a molecular weight of 205.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylpiperidin-4-one is sourced from PubChem (CID 18673825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).