1-(2-tert-butylsulfonylethyl)pyridin-4-one

C11H17NO3S — CID 106731656

IUPAC1-(2-tert-butylsulfonylethyl)pyridin-4-one
SMILESCC(C)(C)S(=O)(=O)CCn1ccc(=O)cc1
InChIInChI=1S/C11H17NO3S/c1-11(2,3)16(14,15)9-8-12-6-4-10(13)5-7-12/h4-7H,8-9H2,1-3H3
InChIKeyVQHHJZBMYAIOFK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.06
Rot. Bonds3

About 1-(2-tert-butylsulfonylethyl)pyridin-4-one

1-(2-tert-butylsulfonylethyl)pyridin-4-one (PubChem CID 106731656) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)pyridin-4-one
PubChem CID106731656
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(2-tert-butylsulfonylethyl)pyridin-4-one
SMILESCC(C)(C)S(=O)(=O)CCn1ccc(=O)cc1
InChIInChI=1S/C11H17NO3S/c1-11(2,3)16(14,15)9-8-12-6-4-10(13)5-7-12/h4-7H,8-9H2,1-3H3
InChIKeyVQHHJZBMYAIOFK-UHFFFAOYSA-N
XLogP1.06
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)pyridin-4-one?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)pyridin-4-one (CID 106731656) is 1-(2-tert-butylsulfonylethyl)pyridin-4-one.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)pyridin-4-one?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)pyridin-4-one is CC(C)(C)S(=O)(=O)CCn1ccc(=O)cc1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)pyridin-4-one?
The InChIKey is VQHHJZBMYAIOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,3)16(14,15)9-8-12-6-4-10(13)5-7-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)pyridin-4-one?
1-(2-tert-butylsulfonylethyl)pyridin-4-one has a molecular weight of 243.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)pyridin-4-one is sourced from PubChem (CID 106731656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).