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

C11H18N2OS — CID 43260356

IUPAC5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one
SMILESCCC(C)SCCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2OS/c1-3-9(2)15-7-6-13-8-10(12)4-5-11(13)14/h4-5,8-9H,3,6-7,12H2,1-2H3
InChIKeyROOIBLIUBCLJIL-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.96
Rot. Bonds5

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

5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one (PubChem CID 43260356) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one
PubChem CID43260356
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one
SMILESCCC(C)SCCn1cc(N)ccc1=O
InChIInChI=1S/C11H18N2OS/c1-3-9(2)15-7-6-13-8-10(12)4-5-11(13)14/h4-5,8-9H,3,6-7,12H2,1-2H3
InChIKeyROOIBLIUBCLJIL-UHFFFAOYSA-N
XLogP1.96
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one (CID 43260356) is 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one is CCC(C)SCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one?
The InChIKey is ROOIBLIUBCLJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-9(2)15-7-6-13-8-10(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-ylsulfanylethyl)pyridin-2-one?
5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-butan-2-ylsulfanylethyl)pyridin-2-one is sourced from PubChem (CID 43260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).