5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one

C11H18N2O3S — CID 43444573

IUPAC5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one
SMILESCCC(C)S(=O)(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2O3S/c1-3-9(2)17(15,16)7-6-13-8-10(12)4-5-11(13)14/h4-5,8-9H,3,6-7,12H2,1-2H3
InChIKeyWWDJMDRPPDDKHR-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one

5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one (PubChem CID 43444573) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one
PubChem CID43444573
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one
SMILESCCC(C)S(=O)(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2O3S/c1-3-9(2)17(15,16)7-6-13-8-10(12)4-5-11(13)14/h4-5,8-9H,3,6-7,12H2,1-2H3
InChIKeyWWDJMDRPPDDKHR-UHFFFAOYSA-N
XLogP0.64
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-butan-2-ylsulfonylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one (CID 43444573) is 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one is CCC(C)S(=O)(=O)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one?
The InChIKey is WWDJMDRPPDDKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-9(2)17(15,16)7-6-13-8-10(12)4-5-11(13)14/h4-5,8-9H,3,6-7,12H2,1-2H3.
What are the key properties of 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one?
5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one has a molecular weight of 258.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-butan-2-ylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 43444573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).