5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one

C11H18N2O3S — CID 43444346

IUPAC5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one
SMILESCC(C)(C)S(=O)(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)17(15,16)7-6-13-8-9(12)4-5-10(13)14/h4-5,8H,6-7,12H2,1-3H3
InChIKeyGFQQPIJLVSVSOS-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.64
Rot. Bonds3

About 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one

5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one (PubChem CID 43444346) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one
PubChem CID43444346
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one
SMILESCC(C)(C)S(=O)(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)17(15,16)7-6-13-8-9(12)4-5-10(13)14/h4-5,8H,6-7,12H2,1-3H3
InChIKeyGFQQPIJLVSVSOS-UHFFFAOYSA-N
XLogP0.64
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one (CID 43444346) is 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one is CC(C)(C)S(=O)(=O)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one?
The InChIKey is GFQQPIJLVSVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,3)17(15,16)7-6-13-8-9(12)4-5-10(13)14/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one?
5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one has a molecular weight of 258.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-tert-butylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 43444346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).