3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one

C11H18N2O3S — CID 107073107

IUPAC3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-9-4-5-10(8-12)11(14)13(9)6-3-7-17(2,15)16/h4-5H,3,6-8,12H2,1-2H3
InChIKeyRXZUMZVQUQABAV-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.05
Rot. Bonds5

About 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one

3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one (PubChem CID 107073107) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
PubChem CID107073107
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
SMILESCc1ccc(CN)c(=O)n1CCCS(C)(=O)=O
InChIInChI=1S/C11H18N2O3S/c1-9-4-5-10(8-12)11(14)13(9)6-3-7-17(2,15)16/h4-5H,3,6-8,12H2,1-2H3
InChIKeyRXZUMZVQUQABAV-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one (CID 107073107) is 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one is Cc1ccc(CN)c(=O)n1CCCS(C)(=O)=O.
What is the InChIKey of 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
The InChIKey is RXZUMZVQUQABAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-4-5-10(8-12)11(14)13(9)6-3-7-17(2,15)16/h4-5H,3,6-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one?
3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one has a molecular weight of 258.34 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one is sourced from PubChem (CID 107073107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).