5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one

C10H16N2O2S — CID 61288873

IUPAC5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one
SMILESCC(C)S(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2O2S/c1-8(2)15(14)6-5-12-7-9(11)3-4-10(12)13/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyVLVUGDILXSHMIL-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.59
Rot. Bonds4

About 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one

5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one (PubChem CID 61288873) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one
PubChem CID61288873
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one
SMILESCC(C)S(=O)CCn1cc(N)ccc1=O
InChIInChI=1S/C10H16N2O2S/c1-8(2)15(14)6-5-12-7-9(11)3-4-10(12)13/h3-4,7-8H,5-6,11H2,1-2H3
InChIKeyVLVUGDILXSHMIL-UHFFFAOYSA-N
XLogP0.59
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.59
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-propan-2-ylsulfinylethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one (CID 61288873) is 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one is CC(C)S(=O)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one?
The InChIKey is VLVUGDILXSHMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)15(14)6-5-12-7-9(11)3-4-10(12)13/h3-4,7-8H,5-6,11H2,1-2H3.
What are the key properties of 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one?
5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-propan-2-ylsulfinylethyl)pyridin-2-one is sourced from PubChem (CID 61288873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).