4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine

C10H16N2O2S — CID 143484510

IUPAC4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine
SMILESCC(=O)c1ccn(C)c(=O)c1.CNSC
InChIInChI=1S/C8H9NO2.C2H7NS/c1-6(10)7-3-4-9(2)8(11)5-7;1-3-4-2/h3-5H,1-2H3;3H,1-2H3
InChIKeyCZIFALOJBZINGD-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.07
Rot. Bonds2

About 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine

4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine (PubChem CID 143484510) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine.

Molecular Properties

Compound Name4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine
PubChem CID143484510
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine
SMILESCC(=O)c1ccn(C)c(=O)c1.CNSC
InChIInChI=1S/C8H9NO2.C2H7NS/c1-6(10)7-3-4-9(2)8(11)5-7;1-3-4-2/h3-5H,1-2H3;3H,1-2H3
InChIKeyCZIFALOJBZINGD-UHFFFAOYSA-N
XLogP1.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine?
The IUPAC name of 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine (CID 143484510) is 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine.
What is the SMILES notation for 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine?
The canonical SMILES for 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine is CC(=O)c1ccn(C)c(=O)c1.CNSC.
What is the InChIKey of 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine?
The InChIKey is CZIFALOJBZINGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H7NS/c1-6(10)7-3-4-9(2)8(11)5-7;1-3-4-2/h3-5H,1-2H3;3H,1-2H3.
What are the key properties of 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine?
4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine has a molecular weight of 228.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methylpyridin-2-one;N-methylsulfanylmethanamine is sourced from PubChem (CID 143484510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).